Herbs are widely used in treatments of various ailments from time immemorial. Compound isolation, drug discovery from herbals and molecular docking to analyse ligand receptor interaction by Phytochemists and drug developers evolve new molecules which is more effective than conventional drugs. Adiantum latifolium Lam.is a plant which is employed in folk medicine Worldwide for its anti-inflammatory, anti-infectious, diuretic and analgesic properties. Frond extracts was studied for its active biomolecules through phytochemical studies. The present molecular docking study was carried out with compounds isolated through GCMS analysis. The four selected compounds from A.latifolium were docked with target proteins such as IGSK3P,Bcl-2 and Bax which are known structure of apoptotic and proapoptotic cancer pathway proteins. Among the four compounds, Androst-5-en-3-one,19-acetoxy-4,4-dimethyl-oxime, compound interact with all cancer pathway receptor proteins. The rest of the ligand of the compound interacted with three and two receptor protein molecules, respectively. All the computation finding shows lot of bioactive ligands having neutral docking score above 90 which displayed phytocompound having anticancer compound for future anticancer drug discovery.