SCHEMBL8040932

SCHEMBL8040932

C[C@@H](c1ccc(O)cc1)C(NC(=O)CCC(=O)Nc1ccc(C(=N)N)cc1)C(=O)O

nearest known ligand 0.60

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 15/20 0.60
ITGA2B P08514 15/20 0.60

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
SCHEMBL8031013 0.80 ITGB3 (0.83) ITGB3ITGA2B
SCHEMBL8040936 0.79 ITGB3 (0.67) ITGB3ITGA2B
SCHEMBL8044561 0.77 ITGB3 (0.56) ITGB3ITGA2B
SCHEMBL7423098 0.77 ITGB3 (0.68) ITGB3ITGA2B
SCHEMBL8906274 0.76 ITGB3 (0.66) ITGB3ITGA2B
SCHEMBL7348181 0.76 ITGB3 (1.00) ITGB3ITGA2B
SCHEMBL7346582 0.75 ITGB3 (0.65) ITGB3ITGA2B
SCHEMBL7344649 0.74 ITGB3 (0.74) ITGB3ITGA2B
SCHEMBL8906481 0.73 ITGB3 (0.73) ITGB3ITGA2B
SCHEMBL8279056 0.73 ITGB3 (0.73) 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
US-6037365-A ANTIINFLAMMATORY AND ANTIMETASTASIS AGENTS; CARDIOVASCULAR DISORDERS, ARTERIOSCLEROSIS G.D. SEARLE & CO. (US) 2000-03-14 US disclosed