SCHEMBL14397752

SCHEMBL14397752

CCOC(=O)C(C)(C)Oc1ccc(CC(C)NC(=O)c2cc(C(F)(F)F)ccc2F)cc1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 4/20 0.45
ABCB11 O95342 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
TSHR P16473 1/20 0.45
HTR2A P28223 1/20 0.45
PMP22 Q01453 1/20 0.45
CNR1 P21554 7/20 0.43
FBP1 P09467 1/20 0.41
ACACB O00763 6/20 0.41
CNR2 P34972 4/20 0.39
PPARG P37231 4/20 0.39
EPHX2 P34913 2/20 0.39
DDR1 Q08345 1/20 0.38
PPARD Q03181 2/20 0.38

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
SCHEMBL14399395 0.93 PPARA (0.45) PPARAABCB11CYP1A2CYP3A4TSHR
SCHEMBL5326681 0.89 CNR1 (0.48) PPARACNR1ACACBPPARGPPARD
SCHEMBL14397270 0.85 LMNA (0.49) PPARAABCB11CYP1A2CYP3A4TSHR
SCHEMBL14399419 0.83 PPARA (0.42) PPARAABCB11CYP1A2CYP3A4TSHR
SCHEMBL14399345 0.83 PPARA (0.45) PPARAABCB11CYP1A2CYP3A4TSHR
SCHEMBL14399347 0.81 CTSS (0.48) PPARAABCB11CYP1A2CYP3A4TSHR
SCHEMBL5329478 0.81 PPARA (0.54) PPARACNR1PPARGPPARD
SCHEMBL5331315 0.80 CDK2 (0.52) ACACBDDR1
SCHEMBL7977777 0.75 PPARA (0.68) PPARAABCB11CYP1A2CYP3A4TSHR
SCHEMBL5324085 0.74 PPARA (0.48) PPARACYP1A2CYP3A4CNR1ACACB

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
WO-2007118964-A1 SUBSTITUTED N-(PHENETHYL)BENZAMIDE DERIVATIVES, PREPARATION AND USES THEREOF GENFIT (FR) 2007-10-25 WO disclosed
WO-2007118963-A2 SUBSTITUTED N-(PHENETHYL)BENZAMIDE DERIVATIVES, PREPARATION AND USES THEREOF GENFIT (FR) 2007-10-25 WO disclosed