SCHEMBL6495597

SCHEMBL6495597

CC(C)(C)CS(=O)(=O)N[C@@H](Cc1ccc2oc(CCCNc3ncc[nH]3)cc(=O)c2c1)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 19/20 0.39
ITGAV P06756 19/20 0.39
ITGA2B P08514 18/20 0.39

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
SCHEMBL3039366 0.90 ITGB3 (0.40) ITGB3ITGAVITGA2B
SCHEMBL6506524 0.89 ITGB3 (0.40) ITGB3ITGAVITGA2B
SCHEMBL6505728 0.87 ITGB3 (0.49) ITGB3ITGAVITGA2B
SCHEMBL6496052 0.86 ITGB1 (0.47) ITGB3ITGAVITGA2B
SCHEMBL6505393 0.86 ITGB3 (0.42) ITGB3ITGAV
SCHEMBL3046466 0.85 ITGB3 (0.39) ITGB3ITGAVITGA2B
SCHEMBL14431276 0.85 ITGB3 (0.39) ITGB3ITGAVITGA2B
SCHEMBL5203532 0.81 ITGB3 (0.34) ITGB3ITGAVITGA2B
SCHEMBL6504314 0.76 ITGB3 (0.44) ITGB3ITGAVITGA2B
SCHEMBL5204669 0.76 ITGB1 (0.49) ITGB3ITGAVITGA2B

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-6849646-B1 Chromenone and chromanone derivatives as integrin inhibitors MERCK PATENT GMBH (DE) 2005-02-01 US disclosed