SCHEMBL7986014

SCHEMBL7986014

Cc1cc(C)c(S(=O)(=O)NC(CNC(=O)C2CC(CCCCNc3ncc[nH]3)NO2)C(=O)O)c(C)c1

nearest known ligand 0.67

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 20/20 0.67
ITGAV P06756 20/20 0.67
ITGA2B P08514 19/20 0.67
ITGB1 P05556 3/20 0.53
ITGA5 P08648 3/20 0.53

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
SCHEMBL7969108 0.95 ITGB3 (0.66) ITGB3ITGAVITGA2BITGB1ITGA5
SCHEMBL7402690 0.90 ITGAV (0.67) ITGB3ITGAVITGA2BITGB1ITGA5
SCHEMBL7985993 0.88 ITGB3 (0.52) ITGB3ITGAVITGA2B
SCHEMBL7396351 0.88 ITGB3 (0.70) ITGB3ITGAVITGA2BITGB1ITGA5
SCHEMBL7402084 0.88 ITGAV (0.67) ITGB3ITGAVITGA2B
SCHEMBL7980567 0.87 ITGB3 (0.51) ITGB3ITGAVITGA2BITGB1ITGA5
SCHEMBL7404827 0.87 ITGB3 (0.63) ITGB3ITGAVITGA2BITGB1ITGA5
SCHEMBL7982746 0.87 ITGB3 (0.65) ITGB3ITGAVITGA2B
SCHEMBL7403109 0.86 ITGB3 (0.66) ITGB3ITGAVITGA2BITGB1ITGA5
SCHEMBL7969330 0.85 ITGB3 (0.52) ITGB3ITGAVITGA2BITGB1ITGA5

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