SCHEMBL5325385

SCHEMBL5325385

CC(Cc1ccc(OC(C)(C)C(=O)O)cc1)NC(=O)c1cccc(C(F)(F)F)c1F

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CTSS P25774 1/20 0.48
PPARA Q07869 5/20 0.44
PPARD Q03181 2/20 0.44
ACACB O00763 3/20 0.43
PPARG P37231 2/20 0.43
CNR1 P21554 6/20 0.42
CNR2 P34972 4/20 0.40
EPHX2 P34913 1/20 0.40
KAT6A Q92794 1/20 0.40

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
SCHEMBL14399347 0.89 CTSS (0.48) CTSSPPARAACACBPPARGCNR1
SCHEMBL5321440 0.84 POLB (0.54) PPARAACACBPPARGCNR1CNR2
SCHEMBL5324206 0.84 PPARA (0.41) PPARAPPARDACACBPPARGCNR1
SCHEMBL5328209 0.83 CTSS (0.56) CTSSPPARGEPHX2KAT6A
SCHEMBL5321265 0.80 PPARA (0.44) PPARAPPARDACACBPPARGCNR1
SCHEMBL5329478 0.80 PPARA (0.54) PPARAPPARDPPARGCNR1
SCHEMBL5326681 0.80 CNR1 (0.48) PPARAPPARDACACBPPARGCNR1
SCHEMBL3685481 0.78 ACACB (0.61) PPARAPPARDACACBPPARGCNR1
SCHEMBL14399160 0.77 PPARG (0.43) PPARAACACBPPARGCNR1CNR2
SCHEMBL5322668 0.76 CNR1 (0.46) PPARAPPARDACACBPPARGCNR1

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