SCHEMBL7402819

SCHEMBL7402819

CCCCS(=O)(=O)NC(CNC(=O)CC1CC(CCCNC2NC=CCN2)=NO1)C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 20/20 0.59
ITGA2B P08514 19/20 0.59
ITGAV P06756 6/20 0.39

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
SCHEMBL7406676 0.88 ITGB3 (0.50) ITGB3ITGA2BITGAV
SCHEMBL7402759 0.87 ITGB3 (0.44) ITGB3ITGA2BITGAV
SCHEMBL7405039 0.87 ITGB3 (0.45) ITGB3ITGA2BITGAV
SCHEMBL7356079 0.85 ITGB3 (0.64) ITGB3ITGA2BITGAV
SCHEMBL7402626 0.82 ITGB3 (0.51) ITGB3ITGA2BITGAV
SCHEMBL7352371 0.79 ITGB3 (0.65) ITGB3ITGA2BITGAV
SCHEMBL7410567 0.79 ITGB3 (0.48) ITGB3ITGA2BITGAV
SCHEMBL7349056 0.78 ITGB3 (0.63) ITGB3ITGA2BITGAV
SCHEMBL7985948 0.75 ITGB3 (0.48) ITGB3ITGA2BITGAV
SCHEMBL7399074 0.75 ITGB3 (0.52) 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 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