SCHEMBL14528596

SCHEMBL14528596

O=C(O)c1ccccc1-c1ccccc1-c1nc(-c2ccccc2)c(-c2ccccc2)o1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 13/20 0.56
FABP4 P15090 2/20 0.56
FABP3 P05413 1/20 0.54
NR4A1 P22736 3/20 0.52
NR4A3 Q92570 3/20 0.52
KDM4E B2RXH2 4/20 0.49
POLB P06746 1/20 0.49
RXRA P19793 6/20 0.47
RXRB P28702 6/20 0.47
RXRG P48443 4/20 0.47
LMNA P02545 2/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
ALDH1A1 P00352 1/20 0.47
ABCC4 O15439 1/20 0.47
C5 P01031 1/20 0.47
CHRM2 P08172 1/20 0.47
CYP3A4 P08684 1/20 0.47
CHRM1 P11229 1/20 0.47
DRD2 P14416 1/20 0.47

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
SCHEMBL31744298 0.80 RXRA (0.58) NR4A2FABP4FABP3RXRARXRB
SCHEMBL7102799 0.79 USP1 (0.54) NR4A2FABP4FABP3NR4A1NR4A3
SCHEMBL14528593 0.79 NR4A2 (0.60) NR4A2FABP4FABP3NR4A1NR4A3
SCHEMBL13789731 0.78 CASP3 (0.53) NR4A2FABP4FABP3NR4A1NR4A3
SCHEMBL14528594 0.78 FABP4 (0.49) NR4A2FABP4FABP3NR4A1NR4A3
SCHEMBL14528513 0.78 FABP4 (0.67) NR4A2FABP4FABP3NR4A1NR4A3
SCHEMBL11612245 0.78 NPC1 (0.50) NR4A2FABP4FABP3KDM4EPOLB
SCHEMBL11527476 0.76 NPC1 (0.61) NR4A2FABP4FABP3NR4A1NR4A3
SCHEMBL9007064 0.76 FABP4 (0.52) NR4A2FABP4FABP3NR4A1NR4A3
SCHEMBL9428424 0.75 FABP4 (0.61) NR4A2FABP4FABP3NR4A1NR4A3

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
EP-1181014-B1 HETEROCYCLIC CONTAINING BIPHENYL aP2 INHIBITORS AND METHOD BRISTOL MYERS SQUIBB CO (US) 2007-05-23 EP disclosed