SCHEMBL7982597

SCHEMBL7982597

Cc1cc(-c2ccccc2)cc(C)c1S(=O)(=O)NC(CNC(=O)C1CC(CCCCNc2ncc[nH]2)ON1)C(=O)O

nearest known ligand 0.71

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 20/20 0.71
ITGAV P06756 20/20 0.71
ITGA2B P08514 18/20 0.71

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7396351 0.93 ITGB3 (0.70) ITGB3ITGAVITGA2B
SCHEMBL7969265 0.92 ITGB3 (0.72) ITGB3ITGAVITGA2B
SCHEMBL7403933 0.90 ITGB3 (0.70) ITGB3ITGAVITGA2B
SCHEMBL7404638 0.89 ITGB3 (0.69) ITGB3ITGAVITGA2B
Trifluoroacetic Acid SCHEMBL7403171 0.89 ITGB3 (0.65) ITGB3ITGAVITGA2B
SCHEMBL7982469 0.89 ITGB3 (0.56) ITGB3ITGAVITGA2B
SCHEMBL7401808 0.88 ITGB3 (0.70) ITGB3ITGAVITGA2B
SCHEMBL7407597 0.88 ITGB3 (0.69) ITGB3ITGAVITGA2B
SCHEMBL7985872 0.88 ITGB3 (0.55) ITGB3ITGAVITGA2B
SCHEMBL7402317 0.85 ITGB3 (0.72) ITGB3ITGAVITGA2B

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6214834-B1 ANGIOGENESIS INHIBITORS; ANTIINFLAMMATORY AGENTS; ANTICANCER AGENTS DUPONT PHARMACEUTICALS COMPANY 2001-04-10 US disclosed