SCHEMBL4736815

SCHEMBL4736815

CC(C)(Oc1ccc(CCC(=O)c2cccc(C(F)(F)F)c2F)c(Cl)c1Cl)C(=O)O

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 3/20 0.35
CTSS P25774 1/20 0.35
PPARD Q03181 10/20 0.35
PPARA Q07869 9/20 0.35
PPARG P37231 8/20 0.35
FFAR4 Q5NUL3 1/20 0.35
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HSD17B10 Q99714 1/20 0.34
TAS2R14 Q9NYV8 1/20 0.33
KAT6A Q92794 1/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.33
PTGS2 P35354 1/20 0.33

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
SCHEMBL14146272 0.80 CHRNA7 (0.40) CTSSKAT6APTGS2
SCHEMBL4737604 0.78 PPARD (0.45) PPARDPPARAPPARGALDH1A1PTGDR2
SCHEMBL4736741 0.76 MAOB (0.45) CTSSPPARDPPARA
SCHEMBL4736739 0.76 MAOB (0.45) CTSSPPARDPPARA
SCHEMBL217859 0.75 PPARA (0.39) PPARDPPARAPPARG
SCHEMBL219071 0.75 HSD17B2 (0.41) PPARDPPARAPPARGALDH1A1PTGDR2
SCHEMBL219874 0.75 ERCC5 (0.41) KDM4EALDH1A1HSD17B10
SCHEMBL217157 0.72 ERCC5 (0.52) PPARDPPARAPPARG
SCHEMBL219974 0.72 PPARD (0.43) PPARDPPARAPPARGPTGDR2
SCHEMBL217887 0.71 KDM4E (0.44) PPARDPPARAPPARGKDM4EALDH1A1

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-2008087365-A2 SUBSTITUTED 1, 3-DIPHENYLPROPANE DERIVATIVES, PREPARATIONS AND USES OF SAME GENFIT (FR) 2008-07-24 WO claimed
WO-2008087365-A2 SUBSTITUTED 1, 3-DIPHENYLPROPANE DERIVATIVES, PREPARATIONS AND USES OF SAME GENFIT (FR) 2008-07-24 WO disclosed