SCHEMBL8211520

SCHEMBL8211520

CCC(C(=O)O)C(C)COc1c(C)cc(CCC(=O)c2ccc(OC(F)(F)F)cc2)cc1C

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 4/20 0.41
PPARG P37231 7/20 0.39
PPARA Q07869 5/20 0.39
EPHX2 P34913 2/20 0.39
FFAR4 Q5NUL3 3/20 0.38
CYP3A4 P08684 1/20 0.38
KCNH2 Q12809 1/20 0.38
CACNA1C Q13936 1/20 0.38
SCN5A Q14524 1/20 0.38
ABCB1 P08183 2/20 0.37
MRGPRX4 Q96LA9 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
FFAR1 O14842 1/20 0.36
PPARD Q03181 2/20 0.36
S1PR1 P21453 2/20 0.35
S1PR3 Q99500 2/20 0.35
ALOX5 P09917 1/20 0.34

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
SCHEMBL1935077 0.81 PPARG (0.44) HRH3PPARGPPARAEPHX2KCNH2
SCHEMBL1934851 0.78 NPC1 (0.44) HRH3PPARGPPARAFFAR4CYP3A4
SCHEMBL1935430 0.77 PPARA (0.55) PPARGPPARAPPARD
SCHEMBL1934438 0.77 FFAR4 (0.45) HRH3PPARGPPARAEPHX2FFAR4
SCHEMBL3513426 0.76 NPC1 (0.46) HRH3EPHX2FFAR4MRGPRX4NPC1
SCHEMBL2153233 0.75 PPARA (0.45) HRH3PPARGPPARAEPHX2CYP3A4
SCHEMBL3512485 0.74 PPARD (0.45) HRH3PPARGPPARAEPHX2NPC1
SCHEMBL1934559 0.72 PPARD (0.43) HRH3PPARGPPARAEPHX2FFAR4
SCHEMBL19743127 0.70 PPARG (0.44) HRH3PPARGPPARAEPHX2FFAR4
SCHEMBL3513128 0.69 PPARA (0.55) PPARGPPARAPPARD

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
EP-2046716-B1 SUBSTITUTED 1,3-DIPHENYLPROPANE DERIVATIVES, PREPARATIONS AND USES THEREOF GENFIT (FR) 2013-08-14 EP claimed
US-8188148-B2 Substituted 1,3-diphenylpropane derivatives, preparations and uses thereof GENFIT (FR) 2012-05-29 US claimed