SCHEMBL5325396

SCHEMBL5325396

CC(C)C(Cc1ccc(OCc2ccccc2)cc1)C(=O)O

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 4/20 0.62
PPARG P37231 4/20 0.62
MAOB P27338 2/20 0.60
PPARD Q03181 1/20 0.59
NR4A1 P22736 1/20 0.58
NR4A2 P43354 1/20 0.58
NR4A3 Q92570 1/20 0.58
FFAR1 O14842 1/20 0.57
FFAR4 Q5NUL3 1/20 0.57
LTA4H P09960 2/20 0.55
MME P08473 1/20 0.55
ACE P12821 1/20 0.55
CPA1 P15085 1/20 0.55
ACE2 Q9BYF1 1/20 0.55
LAP3 P28838 1/20 0.54
SRD5A2 P31213 1/20 0.54
ALOX5 P09917 1/20 0.54
RXRA P19793 1/20 0.54
RXRB P28702 1/20 0.54

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
SCHEMBL5323507 0.89 LTA4H (0.62) PPARAPPARGMAOBPPARDNR4A1
SCHEMBL10071090 0.85 FFAR1 (0.67) PPARAPPARGMAOBPPARDNR4A1
SCHEMBL4665082 0.85 FFAR1 (0.67) PPARAPPARGMAOBPPARDNR4A1
SCHEMBL883357 0.84 SLC1A3 (0.63) NR4A2ACECPA1
SCHEMBL5511480 0.84 SLC1A3 (0.63) NR4A2ACECPA1
SCHEMBL7801265 0.83 PPARA (0.70) PPARAPPARGMAOBPPARDNR4A1
SCHEMBL14501338 0.81 MAOB (0.61) PPARAPPARGMAOBPPARDNR4A1
SCHEMBL14501342 0.81 MAOB (0.61) PPARAPPARGMAOBPPARDNR4A1
SCHEMBL2164145 0.80 PPARG (0.67) PPARAPPARGMAOBPPARDNR4A1
SCHEMBL1069493 0.80 PPARG (0.67) PPARAPPARGMAOBPPARDNR4A1

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