SCHEMBL7402314

SCHEMBL7402314

O=C(NCC(NS(=O)(=O)c1cccc2ccccc12)C(=O)O)C1=NOC(CCCCNc2ncc[nH]2)C1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 20/20 1.00
ITGA2B P08514 19/20 1.00
ITGAV P06756 17/20 1.00

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
SCHEMBL7406489 0.95 ITGB3 (0.91) ITGB3ITGA2BITGAV
SCHEMBL7404633 0.89 ITGB3 (1.00) ITGB3ITGA2BITGAV
SCHEMBL7399482 0.88 ITGB3 (0.79) ITGB3ITGA2BITGAV
SCHEMBL7408438 0.88 ITGB3 (0.79) ITGB3ITGA2BITGAV
SCHEMBL7398015 0.88 ITGB3 (1.00) ITGB3ITGA2BITGAV
SCHEMBL7403929 0.87 ITGB3 (1.00) ITGB3ITGA2BITGAV
SCHEMBL7403049 0.87 ITGB3 (0.77) ITGB3ITGA2BITGAV
SCHEMBL7401806 0.86 ITGB3 (1.00) ITGB3ITGA2BITGAV
SCHEMBL8552416 0.85 ITGB3 (0.74) ITGB3ITGA2BITGAV
SCHEMBL7402317 0.84 ITGB3 (0.72) 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 3 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
WO-1996037492-A1 ISOXAZOLINE AND ISOXAZOLE DERIVATIVES AS INTEGRIN RECEPTOR ANTAGONISTS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1996-11-28 WO disclosed