SCHEMBL5879566

SCHEMBL5879566

COC(=O)CC1c2ccccc2C(=O)N(CC(=O)O)c2ccccc21

nearest known ligand 0.54

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 16/20 0.54
ITGAV P06756 16/20 0.54
POLB P06746 1/20 0.48
CA12 O43570 1/20 0.48
CA9 Q16790 1/20 0.48

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
SCHEMBL5879591 0.87 ITGB3 (0.49) ITGB3ITGAVCA12CA9
SCHEMBL5879576 0.81 ITGB3 (0.54) ITGB3ITGAV
SCHEMBL5879694 0.79 EGFR (0.41) ITGB3ITGAVPOLB
SCHEMBL1675990 0.77 EGFR (0.56) POLB
SCHEMBL5879574 0.77 POLB (0.61) POLBCA12CA9
SCHEMBL5879512 0.77 ITGB3 (0.44) ITGB3ITGAV
SCHEMBL5879521 0.76 POLB (0.46) ITGB3ITGAVPOLB
SCHEMBL3218873 0.75 NR1H2 (0.46) POLB
SCHEMBL5879583 0.75 ITGB3 (0.64) ITGB3ITGAV
SCHEMBL5879533 0.73 ITGB3 (0.55) ITGB3ITGAVPOLB

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