SCHEMBL7457540

SCHEMBL7457540

CC(C)(C)OC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)C1CN(c2ccc(-c3noc(=O)[nH]3)cc2)C(=O)O1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 4/20 0.44
ITGA2B P08514 4/20 0.44
F10 P00742 1/20 0.44
LY96 Q9Y6Y9 1/20 0.37
CACNA1B Q00975 5/20 0.35
MLYCD O95822 1/20 0.33
GAA P10253 1/20 0.33
RBP4 P02753 1/20 0.33
ADORA2A P29274 1/20 0.33
POLB P06746 1/20 0.33
MAPT P10636 1/20 0.33
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL7460203 0.93 ITGB3 (0.43) ITGB3ITGA2BF10CACNA1BADORA2A
SCHEMBL8892492 0.88 ITGB3 (0.49) ITGB3ITGA2BF10ADORA2A
SCHEMBL7468374 0.85 ITGB3 (0.43) ITGB3ITGA2BF10RBP4
SCHEMBL8892912 0.82 ADORA2A (0.50) ITGB3ITGA2BF10ADORA2A
SCHEMBL7461228 0.81 ITGB3 (0.42) ITGB3ITGA2BF10LY96CACNA1B
SCHEMBL7460284 0.78 ITGB3 (0.46) ITGB3ITGA2BF10RBP4
SCHEMBL7463619 0.78 ITGB3 (0.46) ITGB3ITGA2BF10RBP4
SCHEMBL7239008 0.78 ITGB3 (0.46) ITGB3ITGA2BF10
SCHEMBL31524118 0.78 EPHX2 (0.48) ITGB3ITGA2BPOLBMAPTTDP1
SCHEMBL8892462 0.77 ITGB3 (0.49) ITGB3ITGA2BF10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0697408-B1 1 substituted-phenyl-oxazolidene-2-one derivatives and their use as adhesion-receptor antagonists MERCK PATENT GMBH (DE) 2002-01-23 EP disclosed
EP-0697408-A1 1 substituted-phenyl-oxazolidene-2-one derivatives and their use as adhesion-receptor antagonists MERCK PATENT GmbH (DE) 1996-02-21 EP disclosed