SCHEMBL9093514

SCHEMBL9093514

CCCCS(=O)(=O)[C@@](N)(CNC(=O)C[C@H]1C[C@@H](c2ccc(C(=N)N)cc2)NO1)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ ITGB3 P05106 20/20 0.42
▸ ITGA2B P08514 20/20 0.42
▸ ITGB2 P05107 1/20 0.34
▸ ITGAM P11215 1/20 0.34

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
SCHEMBL9093651 0.95 ITGB3 (0.39) ITGB3ITGA2BITGB2ITGAM
SCHEMBL9095129 0.85 ITGB3 (0.35) ITGB3ITGA2BITGB2ITGAM
SCHEMBL9093620 0.84 F2 (0.37) ITGB3ITGA2BITGB2ITGAM
SCHEMBL9091922 0.82 ITGB3 (0.34) ITGB3ITGA2BITGB2ITGAM
SCHEMBL9235711 0.81 ITGB3 (0.44) ITGB3ITGA2BITGB2ITGAM
SCHEMBL7790913 0.80 ITGB3 (0.45) ITGB3ITGA2BITGB2ITGAM
SCHEMBL7446099 0.80 ITGB3 (0.45) ITGB3ITGA2BITGB2ITGAM
SCHEMBL7790872 0.80 ITGB3 (0.45) ITGB3ITGA2BITGB2ITGAM
SCHEMBL7790950 0.80 ITGB3 (0.45) ITGB3ITGA2BITGB2ITGAM
SCHEMBL7441476 0.80 ITGB3 (0.45) ITGB3ITGA2BITGB2ITGAM

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1996038426-A1 NOVEL ISOXAZOLINE AND ISOXAZOLE FIBRINOGEN RECEPTOR ANTAGONISTS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1996-12-05 — — WO disclosed
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