SCHEMBL7398015

SCHEMBL7398015

O=C(NCC(NS(=O)(=O)c1cccc2ccccc12)C(=O)O)C1=NOC(CCCCNc2ccccn2)C1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 20/20 1.00
ITGAV P06756 17/20 1.00
ITGA2B P08514 17/20 0.80

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
SCHEMBL8552846 0.90 ITGB3 (0.82) ITGB3ITGAVITGA2B
SCHEMBL7402257 0.89 ITGB3 (1.00) ITGB3ITGAVITGA2B
SCHEMBL7402314 0.88 ITGB3 (1.00) ITGB3ITGAVITGA2B
SCHEMBL7400624 0.87 ITGB3 (0.82) ITGB3ITGAVITGA2B
SCHEMBL7405151 0.87 ITGB3 (0.92) ITGB3ITGAVITGA2B
SCHEMBL7403221 0.85 ITGB3 (1.00) ITGB3ITGAVITGA2B
Trifluoroacetic Acid SCHEMBL7403079 0.85 ITGB3 (0.91) ITGB3ITGAVITGA2B
SCHEMBL7399482 0.84 ITGB3 (0.79) ITGB3ITGAVITGA2B
SCHEMBL7403049 0.84 ITGB3 (0.77) ITGB3ITGAVITGA2B
SCHEMBL7408438 0.84 ITGB3 (0.79) 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
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