SCHEMBL7401216

SCHEMBL7401216

Cc1cc(C)c(S(=O)(=O)NC(CNC(=O)CC2CC(CCCNc3nc4c([nH]3)CCCC4)NO2)C(=O)O)c(C)c1

nearest known ligand 0.45

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 16/20 0.45
ITGA2B P08514 16/20 0.45
ITGAV P06756 16/20 0.45
ITGB1 P05556 1/20 0.40
ITGA5 P08648 1/20 0.40

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
SCHEMBL7407106 0.88 ITGB3 (0.47) ITGB3ITGA2BITGAVITGB1ITGA5
SCHEMBL7982182 0.88 ITGB3 (0.48) ITGB3ITGA2BITGAV
SCHEMBL7980566 0.85 ITGB3 (0.49) ITGB3ITGA2BITGAVITGB1ITGA5
SCHEMBL7405451 0.85 ITGB3 (0.52) ITGB3ITGA2BITGAVITGB1ITGA5
SCHEMBL7399857 0.84 ITGB3 (0.50) ITGB3ITGA2BITGAV
SCHEMBL7404827 0.84 ITGB3 (0.63) ITGB3ITGA2BITGAVITGB1ITGA5
SCHEMBL7404852 0.81 ITGB3 (0.62) ITGB3ITGA2BITGAVITGB1ITGA5
SCHEMBL7399853 0.79 ITGB3 (0.72) ITGB3ITGA2BITGAV
SCHEMBL7408996 0.78 ITGB3 (0.52) ITGB3ITGA2BITGAV
SCHEMBL7985868 0.76 ITGAV (0.47) ITGB3ITGA2BITGAVITGB1ITGA5

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 2 patents. 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
WO-1996037492-A1 ISOXAZOLINE AND ISOXAZOLE DERIVATIVES AS INTEGRIN RECEPTOR ANTAGONISTS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1996-11-28 WO disclosed