SCHEMBL4737604

SCHEMBL4737604

CC(C)(Oc1ccc(CCC(=O)c2ccc(C(F)(F)F)cc2)c(Cl)c1Cl)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 14/20 0.45
PPARA Q07869 14/20 0.41
PPARG P37231 8/20 0.41
MMP1 P03956 1/20 0.40
PTGDR2 Q9Y5Y4 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
PTPN1 P18031 1/20 0.39

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
SCHEMBL217859 0.83 PPARA (0.39) PPARDPPARAPPARG
SCHEMBL217887 0.83 KDM4E (0.44) PPARDPPARAPPARGALDH1A1MAPT
SCHEMBL219974 0.82 PPARD (0.43) PPARDPPARAPPARGPTGDR2
SCHEMBL4785998 0.81 PPARD (0.43) PPARDPPARAPPARG
SCHEMBL4741580 0.81 PPARA (0.56) PPARDPPARAPPARGALDH1A1
SCHEMBL4736807 0.80 PTGDR2 (0.43) PPARDPPARAPPARGMMP1PTGDR2
SCHEMBL4739629 0.79 PPARA (0.51) PPARDPPARAPPARGALDH1A1MAPT
SCHEMBL4736815 0.78 MRGPRX4 (0.35) PPARDPPARAPPARGPTGDR2ALDH1A1
SCHEMBL4737420 0.77 MMP1 (0.48) MMP1ALDH1A1MAPTPTPN1
SCHEMBL219071 0.77 HSD17B2 (0.41) PPARDPPARAPPARGPTGDR2ALDH1A1

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