SCHEMBL7366878

SCHEMBL7366878

CN1Cc2cc(C(=O)O)ccc2N(C(=O)OC(C)(C)C)C(CC(=O)O)C1=O

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 16/20 0.38
ITGA2B P08514 12/20 0.38
ITGAV P06756 12/20 0.36
KLK7 P49862 1/20 0.35
PDK1 Q15118 1/20 0.35
PDK2 Q15119 1/20 0.35
PDK3 Q15120 1/20 0.35
PDK4 Q16654 1/20 0.35
MAPT P10636 1/20 0.34
HPGD P15428 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
SCHEMBL8467659 0.89 GABRG2 (0.39) ITGB3ITGA2BITGAVKLK7
SCHEMBL7544674 0.85 ITGB3 (0.39) ITGB3ITGA2BITGAVMAPTHPGD
SCHEMBL8468002 0.83 DHODH (0.37) ITGB3ITGA2BITGAVKLK7
SCHEMBL8323234 0.83 KLK7 (0.36) ITGB3ITGA2BKLK7
SCHEMBL8467321 0.81 GABRA1 (0.35) KLK7
SCHEMBL5155939 0.81 ITGB3 (0.41) ITGB3ITGA2BITGAVMAPTHPGD
SCHEMBL7798122 0.77 HSD17B3 (0.39) ITGB3ITGA2BITGAVMAPTHPGD
SCHEMBL8328325 0.75 ITGB3 (0.40) ITGB3ITGA2BITGAVHPGD
SCHEMBL8330616 0.74 ITGB3 (0.46) ITGB3ITGA2BITGAV
SCHEMBL6840064 0.74 ITGB3 (0.36) ITGB3ITGA2BITGAVMAPTHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0767792-A4 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2002-11-20 EP disclosed
US-5977101-A Benzimidazoles/Imidazoles Linked to a Fibrinogen Receptor Antagonist Template Having Vitronectin Receptor Antagonist Activity SMITHKLINE BEECHAM CORPORATION (US) 1999-11-02 US disclosed
EP-0767792-A1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1997-04-16 EP disclosed
WO-1996000730-A1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1996-01-11 WO disclosed