SCHEMBL5045752

SCHEMBL5045752

CCCCCc1ccc(CNC(=O)c2cc(Br)c(CC(NC(=O)C(=O)O)c3cccc(OC(F)(F)F)c3)c(Br)c2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 3/20 0.42
PPARA Q07869 3/20 0.42
PPARG P37231 2/20 0.42
MAPK14 Q16539 1/20 0.41
GPR139 Q6DWJ6 1/20 0.41
DDR1 Q08345 2/20 0.40
PCSK9 Q8NBP7 1/20 0.40
HTR2C P28335 1/20 0.40
ROCK2 O75116 1/20 0.38
ROCK1 Q13464 1/20 0.38
AKR1C3 P42330 1/20 0.38
NR1H4 Q96RI1 1/20 0.38
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 2/20 0.38
HPGD P15428 2/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
SMPD1 P17405 1/20 0.37
OPRM1 P35372 1/20 0.37

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
SCHEMBL5047681 0.92 DDR1 (0.43) EPHX2PPARAPPARGMAPK14GPR139
SCHEMBL6022121 0.88 GPR139 (0.43) MAPK14GPR139DDR1HPGDTRPV1
SCHEMBL6023307 0.87 HTR2C (0.44) EPHX2PPARAPPARGMAPK14GPR139
SCHEMBL5047489 0.87 PPARG (0.42) EPHX2PPARAPPARGKDM4EALDH1A1
SCHEMBL5049019 0.85 PPARA (0.45) EPHX2PPARAPPARGMAPK14AKR1C3
SCHEMBL5048687 0.84 EPHX2 (0.48) EPHX2PPARAPPARGMAPK14DDR1
SCHEMBL6023308 0.81 MAPK14 (0.51) EPHX2PPARAPPARGMAPK14DDR1
SCHEMBL5044895 0.80 EPHX2 (0.48) EPHX2PPARAPPARGHTR2CAKR1C3
SCHEMBL1861388 0.80 MAPK14 (0.47) EPHX2PPARAPPARGMAPK14DDR1
SCHEMBL5048757 0.79 PPARG (0.44) EPHX2PPARAPPARGKDM4EALDH1A1

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-1732534-B1 USE OF METHYLENE AMIDE DERIVATIVES IN CARDIOVASCULAR DISORDERS SERONO LAB (CH) 2008-07-23 EP disclosed