SCHEMBL7406492

SCHEMBL7406492

O=C(O)C(CNC(=O)C1CC(CCNc2ncc[nH]2)ON1)NS(=O)(=O)c1cccc2ccccc12

nearest known ligand 0.65

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 20/20 0.65
ITGAV P06756 20/20 0.65
ITGA2B P08514 18/20 0.65

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
SCHEMBL7402317 0.95 ITGB3 (0.72) ITGB3ITGAVITGA2B
SCHEMBL8552409 0.90 ITGB3 (0.52) ITGB3ITGAVITGA2B
SCHEMBL7969268 0.89 ITGB3 (0.61) ITGB3ITGAVITGA2B
SCHEMBL7404957 0.88 ITGB3 (0.62) ITGB3ITGAVITGA2B
SCHEMBL7403338 0.87 ITGB3 (0.62) ITGB3ITGAVITGA2B
SCHEMBL7403346 0.87 ITGAV (0.63) ITGB3ITGAVITGA2B
SCHEMBL7402219 0.84 ITGB3 (0.67) ITGB3ITGAVITGA2B
SCHEMBL7404638 0.84 ITGB3 (0.69) ITGB3ITGAVITGA2B
SCHEMBL7405819 0.84 ITGB3 (0.65) ITGB3ITGAVITGA2B
SCHEMBL7406489 0.83 ITGB3 (0.91) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0828737-A1 ISOXAZOLINE AND ISOXAZOLE DERIVATIVES AS INTEGRIN RECEPTOR ANTAGONISTS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1998-03-18 EP claimed
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
EP-0828737-A1 ISOXAZOLINE AND ISOXAZOLE DERIVATIVES AS INTEGRIN RECEPTOR ANTAGONISTS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1998-03-18 EP disclosed
WO-1996037492-A1 ISOXAZOLINE AND ISOXAZOLE DERIVATIVES AS INTEGRIN RECEPTOR ANTAGONISTS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1996-11-28 WO disclosed