SCHEMBL5330018

SCHEMBL5330018

CC(Cc1ccc(OC(C)(C)C(=O)O)cc1)NC(=O)c1ccc(C(F)(F)F)cc1N1CCCCC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 11/20 0.47
PPARD Q03181 10/20 0.47
CNR1 P21554 1/20 0.43
PPARG P37231 5/20 0.41
MC4R P32245 1/20 0.40
TPH1 P17752 2/20 0.40
CYP1A2 P05177 2/20 0.39
CYP2C9 P11712 2/20 0.39
CYP2C19 P33261 2/20 0.39
MAPT P10636 2/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
DNMT1 P26358 1/20 0.39
CASP6 P55212 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ERAP2 Q6P179 1/20 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
SCHEMBL14399420 0.93 PPARA (0.47) PPARAPPARDCNR1PPARGMC4R
SCHEMBL5325989 0.93 PPARA (0.47) PPARAPPARDCNR1PPARGMC4R
SCHEMBL5324085 0.92 PPARA (0.48) PPARAPPARDCNR1PPARGMC4R
SCHEMBL14399180 0.85 CNR1 (0.41) PPARAPPARDCNR1PPARGCYP3A4
SCHEMBL5325952 0.84 PPARA (0.51) PPARAPPARDCNR1PPARGMC4R
SCHEMBL5329478 0.84 PPARA (0.54) PPARAPPARDCNR1PPARG
SCHEMBL14399164 0.83 PPARD (0.43) PPARAPPARDCNR1TPH1
SCHEMBL5422887 0.83 TAAR1 (0.47) PPARAPPARDCNR1PPARGTPH1
SCHEMBL5327251 0.83 PPARD (0.49) PPARAPPARDCNR1
SCHEMBL14399348 0.82 CNR1 (0.44) PPARAPPARDCNR1PPARGCYP1A2

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-2007118963-A2 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