SCHEMBL4787472

SCHEMBL4787472

CC(C)(Oc1ccc(/C=C/C(=O)c2ccc(OC(F)(F)F)cc2)c(F)c1F)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PPARG P37231 3/20 0.44
PPARA Q07869 3/20 0.44
TNFRSF1A P19438 3/20 0.44
CYP1A1 P04798 4/20 0.44
CYP1B1 Q16678 4/20 0.44
ABCG2 Q9UNQ0 2/20 0.43
MAOB P27338 2/20 0.41
MAPT P10636 2/20 0.41
MEN1 O00255 1/20 0.41
LMNA P02545 1/20 0.41
KMT2A Q03164 1/20 0.41
NPC1 O15118 1/20 0.40
ALDH1A1 P00352 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
PPARD Q03181 2/20 0.40

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
SCHEMBL4740257 1.00 PPARG (0.44) PPARGPPARATNFRSF1ACYP1A1CYP1B1
SCHEMBL4737415 0.86 ALOX5 (0.46) PPARGPPARATNFRSF1ACYP1A1CYP1B1
SCHEMBL4737414 0.86 ALOX5 (0.46) PPARGPPARATNFRSF1ACYP1A1CYP1B1
SCHEMBL4738538 0.86 PPARG (0.44) PPARGPPARATNFRSF1ACYP1A1CYP1B1
SCHEMBL4738535 0.86 PPARG (0.44) PPARGPPARATNFRSF1ACYP1A1CYP1B1
SCHEMBL4741758 0.80 GABRA3 (0.48) TNFRSF1ACYP1A1CYP1B1ABCG2MAOB
SCHEMBL4741756 0.80 GABRA3 (0.48) TNFRSF1ACYP1A1CYP1B1ABCG2MAOB
SCHEMBL12464057 0.74 PPARA (0.71) PPARGPPARAPPARD
SCHEMBL4740485 0.74 TNFRSF1A (0.54) TNFRSF1ACYP1A1CYP1B1ABCG2MAOB
SCHEMBL4739052 0.74 TNFRSF1A (0.54) TNFRSF1ACYP1A1CYP1B1ABCG2MAOB

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