SCHEMBL7398397

SCHEMBL7398397

O=C(CC1=NOC(CCCNC2=NCCN2)C1)NCC(NS(=O)(=O)c1ccccc1)C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 20/20 0.58
ITGAV P06756 20/20 0.58
ITGA2B P08514 15/20 0.58

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
SCHEMBL7349585 0.88 ITGB3 (0.52) ITGB3ITGAVITGA2B
SCHEMBL7982983 0.88 ITGB3 (0.74) ITGB3ITGAVITGA2B
SCHEMBL7402311 0.87 ITGB3 (0.76) ITGB3ITGAVITGA2B
SCHEMBL7407365 0.85 ITGB3 (0.55) ITGB3ITGAVITGA2B
SCHEMBL7403713 0.85 ITGB3 (0.77) ITGB3ITGAVITGA2B
SCHEMBL7986069 0.83 ITGB3 (0.64) ITGB3ITGAVITGA2B
SCHEMBL7405741 0.83 ITGB3 (0.69) ITGB3ITGAVITGA2B
SCHEMBL7405908 0.81 ITGB3 (0.51) ITGB3ITGAVITGA2B
SCHEMBL7406614 0.81 ITGB3 (0.51) ITGB3ITGAVITGA2B
SCHEMBL7985948 0.79 ITGB3 (0.48) 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
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