SCHEMBL9093406

SCHEMBL9093406

Cc1noc(C)c1S(=O)(=O)OC(=O)[C@@H](N)CNC(=O)C[C@H]1CC(c2ccc(C(=N)NC(=O)OC(C)(C)C)cc2)=NO1

nearest known ligand 0.57

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ ITGB3 P05106 19/20 0.57
▸ ITGA2B P08514 19/20 0.57
▸ MIF P14174 1/20 0.45

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
SCHEMBL7451276 0.75 MAPT (0.34) —
SCHEMBL6992425 0.74 MIF (0.57) ITGB3ITGA2BMIF
SCHEMBL7748060 0.73 ITGB3 (1.00) ITGB3ITGA2B
SCHEMBL9093436 0.72 ITGB3 (0.47) ITGB3ITGA2B
Trifluoroacetic Acid SCHEMBL7790802 0.70 ITGB3 (0.45) ITGB3ITGA2B
SCHEMBL7090791 0.68 ITGB3 (0.89) ITGB3ITGA2B
SCHEMBL7373695 0.68 ITGB3 (0.32) ITGB3ITGA2B
SCHEMBL21706057 0.67 ITGB3 (0.66) ITGB3ITGA2B
SCHEMBL7373154 0.67 ITGB3 (0.54) ITGB3ITGA2BMIF
SCHEMBL7835225 0.65 ITGB3 (0.32) ITGB3ITGA2B

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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