SCHEMBL14399345

SCHEMBL14399345

CCOC(=O)C(C)(C)Oc1ccc(CC(C)NC(=O)c2ccc(F)c(C(F)(F)F)c2)cc1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 3/20 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
PPARD Q03181 1/20 0.42
FBP1 P09467 1/20 0.41
ACACB O00763 5/20 0.41
EPHX2 P34913 4/20 0.41
PPARG P37231 4/20 0.41
CNR1 P21554 6/20 0.40
CNR2 P34972 3/20 0.39
HDAC8 Q9BY41 1/20 0.39

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
SCHEMBL5321265 0.89 PPARA (0.44) PPARAPPARDACACBPPARGCNR1
SCHEMBL14399419 0.83 PPARA (0.42) PPARAABCB11CYP1A2CYP3A4TSHR
SCHEMBL14397752 0.83 PPARA (0.45) PPARAABCB11CYP1A2CYP3A4TSHR
SCHEMBL14399347 0.81 CTSS (0.48) PPARAABCB11CYP1A2CYP3A4TSHR
SCHEMBL14399395 0.81 PPARA (0.45) PPARAABCB11CYP1A2CYP3A4TSHR
SCHEMBL14397270 0.80 LMNA (0.49) PPARAABCB11CYP1A2CYP3A4TSHR
SCHEMBL5187757 0.73 PPARD (0.43) PPARAPPARDFBP1EPHX2PPARG
SCHEMBL5422887 0.73 TAAR1 (0.47) PPARAPPARDPPARGCNR1
SCHEMBL13753587 0.73 HDAC8 (0.53) PPARAPPARDHDAC8
SCHEMBL13753375 0.72 NPSR1 (0.57) PPARAPPARDHDAC8

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