SCHEMBL7403333

SCHEMBL7403333

O=C(NCC(NS(=O)(=O)c1ccc(-c2ccccc2)cc1)C(=O)O)C1=NOC(CCNc2ncc[nH]2)C1

nearest known ligand 0.90

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 20/20 0.90
ITGAV P06756 19/20 0.90
ITGA2B P08514 18/20 0.90

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
SCHEMBL7969262 0.96 ITGB3 (0.90) ITGB3ITGAVITGA2B
SCHEMBL7403929 0.95 ITGB3 (1.00) ITGB3ITGAVITGA2B
SCHEMBL7404633 0.91 ITGB3 (1.00) ITGB3ITGAVITGA2B
SCHEMBL8552416 0.89 ITGB3 (0.74) ITGB3ITGAVITGA2B
SCHEMBL7403341 0.87 ITGB3 (0.90) ITGB3ITGAVITGA2B
SCHEMBL7406489 0.87 ITGB3 (0.91) ITGB3ITGAVITGA2B
SCHEMBL7407590 0.85 ITGB3 (1.00) ITGB3ITGAVITGA2B
SCHEMBL7401806 0.82 ITGB3 (1.00) ITGB3ITGAVITGA2B
SCHEMBL7402314 0.82 ITGB3 (1.00) ITGB3ITGAVITGA2B
SCHEMBL7403338 0.81 ITGB3 (0.62) 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 4 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
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