SCHEMBL14435214

SCHEMBL14435214

CC[C@@H](Cc1cc(Cl)ccc1Br)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 6/20 0.48
EPHX2 P34913 1/20 0.48
PPARA Q07869 6/20 0.44
PPARD Q03181 3/20 0.41
TDP1 Q9NUW8 2/20 0.38
DDR1 Q08345 2/20 0.38
CHRM1 P11229 1/20 0.38
TBXA2R P21731 1/20 0.38
PDE4A P27815 1/20 0.38
ADRA1A P35348 1/20 0.38
LMNA P02545 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
HIF1A Q16665 1/20 0.38
F2R P25116 1/20 0.37
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
HTT P42858 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 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
SCHEMBL12713206 1.00 PPARG (0.48) PPARGEPHX2PPARAPPARDTDP1
SCHEMBL13941150 0.88 DDR1 (0.38) PPARGEPHX2PPARATDP1DDR1
SCHEMBL12713207 0.84 EPHX2 (0.43) PPARGEPHX2PPARAPPARDTDP1
SCHEMBL13941324 0.83 PPARA (0.44) PPARGEPHX2PPARAPPARDTDP1
SCHEMBL12713224 0.82 PPARG (0.47) PPARGEPHX2PPARAPPARDTDP1
SCHEMBL12713189 0.81 PPARA (0.43) PPARGPPARACYP1A2CYP2C9KDM4E
SCHEMBL10745481 0.80 PPARG (0.49) PPARGEPHX2PPARAPPARDTDP1
SCHEMBL31276470 0.78 CYP2C9 (0.49) PPARGPPARATDP1LMNACYP1A2
SCHEMBL1511311 0.78 PPARG (0.49) PPARGEPHX2PPARAPPARDCYP1A2
SCHEMBL12713191 0.75 PPARA (0.37) PPARGPPARADDR1LMNACYP1A2

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
WO-2007096186-A1 SUBSTITUTED PHENYLPIPERIDINE DERIVATIVES AS MELANOCORTIN-4 RECEPTOR MODULATORS SANTHERA PHARMACEUTICALS (SCHWEIZ) AG (CH) 2007-08-30 WO disclosed