SCHEMBL7404739

SCHEMBL7404739

Cc1cc(C)c(S(=O)(=O)NC(CNC(=O)C2=NOC(CCCCNc3nc(C)c[nH]3)C2)C(=O)O)c(C)c1

nearest known ligand 0.79

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 20/20 0.79
ITGA2B P08514 19/20 0.79
ITGAV P06756 17/20 0.79

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
SCHEMBL7399261 0.89 ITGB3 (0.77) ITGB3ITGA2BITGAV
SCHEMBL7404832 0.89 ITGB3 (0.76) ITGB3ITGA2BITGAV
SCHEMBL7397408 0.88 ITGB3 (0.77) ITGB3ITGA2BITGAV
SCHEMBL7396344 0.88 ITGB3 (1.00) ITGB3ITGA2BITGAV
SCHEMBL7405448 0.87 ITGB3 (0.77) ITGB3ITGA2BITGAV
SCHEMBL7399853 0.85 ITGB3 (0.72) ITGB3ITGA2BITGAV
SCHEMBL7405981 0.85 ITGB3 (0.74) ITGB3ITGA2BITGAV
SCHEMBL7399482 0.85 ITGB3 (0.79) ITGB3ITGA2BITGAV
SCHEMBL7407590 0.83 ITGB3 (1.00) ITGB3ITGA2BITGAV
SCHEMBL7404741 0.82 ITGB3 (0.55) ITGB3ITGA2BITGAV

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