SCHEMBL7402317

SCHEMBL7402317

O=C(O)C(CNC(=O)C1CC(CCCCNc2ncc[nH]2)ON1)NS(=O)(=O)c1cccc2ccccc12

nearest known ligand 0.72

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 20/20 0.72
ITGAV P06756 19/20 0.72
ITGA2B P08514 18/20 0.72

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
SCHEMBL7406492 0.95 ITGB3 (0.65) ITGB3ITGAVITGA2B
SCHEMBL7404638 0.90 ITGB3 (0.69) ITGB3ITGAVITGA2B
SCHEMBL7398017 0.89 ITGB3 (0.70) ITGB3ITGAVITGA2B
SCHEMBL7402219 0.88 ITGB3 (0.67) ITGB3ITGAVITGA2B
SCHEMBL7399485 0.88 ITGB3 (0.56) ITGB3ITGAVITGA2B
SCHEMBL7408444 0.88 ITGB3 (0.56) ITGB3ITGAVITGA2B
SCHEMBL7403933 0.88 ITGB3 (0.70) ITGB3ITGAVITGA2B
SCHEMBL7401808 0.87 ITGB3 (0.70) ITGB3ITGAVITGA2B
SCHEMBL7403051 0.87 ITGB3 (0.55) ITGB3ITGAVITGA2B
SCHEMBL7982597 0.85 ITGB3 (0.71) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

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