SCHEMBL7405502

SCHEMBL7405502

O=C(NC(CNC(=O)C1=NOC(CCCNc2ncc[nH]2)C1)C(=O)O)OCc1ccccc1

nearest known ligand 0.74

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ ITGB3 P05106 20/20 0.74
▸ ITGA2B P08514 18/20 0.74
▸ ITGAV P06756 18/20 0.67

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
SCHEMBL7410391 0.85 ITGB3 (1.00) ITGB3ITGA2BITGAV
Hydrochloric Acid SCHEMBL7401103 0.84 ITGB3 (0.98) ITGB3ITGA2BITGAV
SCHEMBL7982676 0.83 ITGB3 (0.75) ITGB3ITGA2BITGAV
SCHEMBL7405506 0.82 ITGB3 (0.53) ITGB3ITGA2BITGAV
SCHEMBL7404633 0.80 ITGB3 (1.00) ITGB3ITGA2BITGAV
SCHEMBL7979235 0.80 ITGB3 (0.67) ITGB3ITGA2BITGAV
SCHEMBL7402212 0.79 ITGB3 (0.65) ITGB3ITGA2BITGAV
SCHEMBL7979129 0.79 ITGB3 (0.65) ITGB3ITGA2BITGAV
SCHEMBL7403929 0.79 ITGB3 (1.00) ITGB3ITGA2BITGAV
SCHEMBL7969262 0.78 ITGB3 (0.90) 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
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