SCHEMBL5879591

SCHEMBL5879591

CC(C)(C)OC(=O)CC1c2ccccc2C(=O)N(CC(=O)O)c2ccccc21

nearest known ligand 0.49

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 16/20 0.49
ITGAV P06756 16/20 0.49
CA12 O43570 1/20 0.45
CA9 Q16790 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
SCHEMBL5879576 0.91 ITGB3 (0.54) ITGB3ITGAV
SCHEMBL5879512 0.89 ITGB3 (0.44) ITGB3ITGAV
SCHEMBL5879566 0.87 ITGB3 (0.54) ITGB3ITGAVCA12CA9
SCHEMBL5880062 0.83 CYP1A2 (0.42) ITGB3ITGAV
SCHEMBL5879532 0.80 KDR (0.37) ITGB3ITGAV
SCHEMBL5879521 0.80 POLB (0.46) ITGB3ITGAV
SCHEMBL5879502 0.79 ITGB3 (0.41) ITGB3ITGAV
SCHEMBL5026289 0.75 ITGB3 (0.42) ITGB3ITGAV
SCHEMBL5023976 0.75 ITGB3 (0.42) ITGB3ITGAV
SCHEMBL5025707 0.75 ITGB3 (0.42) ITGB3ITGAV

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-7105508-B1 Integrin receptors antagonists ABBOTT GMBH & CO. KG (DE) 2006-09-12 US disclosed