SCHEMBL7230543

SCHEMBL7230543

O=C(NC(Cc1ccc(OCC2CN(c3ccc(-c4noc(=O)[nH]4)cc3)C(=O)O2)cc1)C(=O)OCc1ccccc1)c1ccc2ccccc2c1

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 5/20 0.45
ITGA2B P08514 5/20 0.45
F10 P00742 2/20 0.44
GRM2 Q14416 10/20 0.41
BCL2 P10415 1/20 0.37
PLA2G10 O15496 1/20 0.37
PLA2G2A P14555 1/20 0.37
MAPT P10636 1/20 0.36
TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL7238103 0.94 ITGB3 (0.48) ITGB3ITGA2BF10GRM2PLA2G10
SCHEMBL7238093 0.89 ITGB3 (0.43) ITGB3ITGA2BF10GRM2MAPT
SCHEMBL7228184 0.88 GRM2 (0.46) ITGB3ITGA2BF10GRM2PLA2G10
SCHEMBL7227376 0.87 GRM2 (0.45) ITGB3ITGA2BF10GRM2PLA2G10
SCHEMBL7227913 0.87 GRM2 (0.45) ITGB3ITGA2BF10GRM2PLA2G10
SCHEMBL7228406 0.86 ITGB3 (0.45) ITGB3ITGA2BF10GRM2BCL2
SCHEMBL7230030 0.85 ITGB3 (0.46) ITGB3ITGA2BF10GRM2PLA2G10
SCHEMBL7227349 0.85 GRM2 (0.46) ITGB3ITGA2BF10GRM2PLA2G10
SCHEMBL7238110 0.84 ITGB3 (0.48) ITGB3ITGA2BF10GRM2PLA2G10
SCHEMBL7228242 0.83 GRM2 (0.45) ITGB3ITGA2BF10GRM2PLA2G10

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
US-6602876-B1 Adhesion receptor antagonists MERCK PATENT GMBH (DE) 2003-08-05 US disclosed
US-6204280-B1 OXAZOLIDINONE DERIVATIVE, ANTICOAGULANT MERCK PATENT GESELLSCHAFT MIT BERSCHRANKTER HAFTUNG (DE) 2001-03-20 US disclosed