SCHEMBL4738535

SCHEMBL4738535

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 4/20 0.44
PPARA Q07869 4/20 0.44
TNFRSF1A P19438 3/20 0.44
FABP2 P12104 1/20 0.43
SLC22A12 Q96S37 1/20 0.43
CYP1A1 P04798 4/20 0.43
CYP1B1 Q16678 4/20 0.43
MAPT P10636 5/20 0.43
LMNA P02545 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
HPGD P15428 1/20 0.43
KDM4E B2RXH2 1/20 0.43
ATM Q13315 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C19 P33261 1/20 0.42

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
SCHEMBL4738538 1.00 PPARG (0.44) PPARGPPARATNFRSF1AFABP2SLC22A12
SCHEMBL4739052 0.89 TNFRSF1A (0.54) TNFRSF1ACYP1A1CYP1B1MAPTLMNA
SCHEMBL4740485 0.89 TNFRSF1A (0.54) TNFRSF1ACYP1A1CYP1B1MAPTLMNA
SCHEMBL4737608 0.88 TNFRSF1A (0.55) TNFRSF1ACYP1A1CYP1B1MAOB
SCHEMBL4787159 0.88 TNFRSF1A (0.55) TNFRSF1ACYP1A1CYP1B1MAOB
SCHEMBL4741100 0.87 PPARG (0.46) PPARGPPARATNFRSF1AMAPTLMNA
SCHEMBL4740248 0.87 PPARG (0.46) PPARGPPARATNFRSF1AMAPTLMNA
SCHEMBL4740257 0.86 PPARG (0.44) PPARGPPARATNFRSF1ACYP1A1CYP1B1
SCHEMBL4787472 0.86 PPARG (0.44) PPARGPPARATNFRSF1ACYP1A1CYP1B1
SCHEMBL4737599 0.85 DPP4 (0.48) PPARGPPARATNFRSF1ACYP1B1MAPT

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