SCHEMBL5325698

SCHEMBL5325698

CCOC(=O)CC(C)c1ccc(OC(C)(C)C(=O)O)cc1C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 13/20 0.43
PPARG P37231 9/20 0.43
CYP1A2 P05177 2/20 0.41
CYP3A4 P08684 2/20 0.41
MEN1 O00255 1/20 0.41
CYP2D6 P10635 1/20 0.41
MAPT P10636 1/20 0.41
CYP2C19 P33261 1/20 0.41
KMT2A Q03164 1/20 0.41
ABCB11 O95342 1/20 0.40
TSHR P16473 1/20 0.40
HTR2A P28223 1/20 0.40
PMP22 Q01453 1/20 0.40
PPARD Q03181 4/20 0.39
PTPN7 P35236 1/20 0.39
DUSP3 P51452 1/20 0.39
PTPN12 Q05209 1/20 0.39
PTPN22 Q9Y2R2 1/20 0.39
CASP1 P29466 2/20 0.37
FABP2 P12104 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
SCHEMBL5320648 0.88 PPARA (0.46) PPARAPPARGCYP1A2CYP3A4MEN1
SCHEMBL5323594 0.83 PPARA (0.46) PPARAPPARGCYP1A2CYP3A4MEN1
SCHEMBL5326469 0.82 PPARA (0.50) PPARAPPARGCYP1A2CYP3A4MEN1
SCHEMBL5323181 0.81 PPARA (0.47) PPARAPPARGCYP1A2CYP3A4MEN1
SCHEMBL31664413 0.79 SMN1; SMN2 (0.41) MEN1MAPTKMT2ATSHRCASP1
SCHEMBL5323545 0.75 PPARG (0.43) PPARAPPARGMAPTPPARD
SCHEMBL5324843 0.74 PPARA (0.42) PPARAPPARGCYP1A2CYP3A4MEN1
SCHEMBL22643457 0.70 EPHX1 (0.42) KMT2A
SCHEMBL14398176 0.70 PPARA (0.37) PPARAPPARGCYP1A2CYP3A4MEN1
SCHEMBL19469564 0.69 PPARA (0.62) PPARAPPARGCYP1A2CYP3A4MEN1

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