SCHEMBL4737608

SCHEMBL4737608

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

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TNFRSF1A P19438 1/20 0.55
CYP1A1 P04798 16/20 0.54
CYP1B1 Q16678 16/20 0.54
DPP4 P27487 1/20 0.52
MAOB P27338 2/20 0.47
CXCL12 P48061 1/20 0.44
P4HB P07237 1/20 0.43

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
SCHEMBL4787159 1.00 TNFRSF1A (0.55) TNFRSF1ACYP1A1CYP1B1DPP4MAOB
SCHEMBL4738538 0.88 PPARG (0.44) TNFRSF1ACYP1A1CYP1B1MAOB
SCHEMBL4738535 0.88 PPARG (0.44) TNFRSF1ACYP1A1CYP1B1MAOB
SCHEMBL4736808 0.87 TNFRSF1A (0.46) TNFRSF1ACYP1A1CYP1B1DPP4MAOB
SCHEMBL4736804 0.87 TNFRSF1A (0.46) TNFRSF1ACYP1A1CYP1B1DPP4MAOB
SCHEMBL4737599 0.86 DPP4 (0.48) TNFRSF1ACYP1B1DPP4MAOBCXCL12
SCHEMBL4737596 0.86 DPP4 (0.48) TNFRSF1ACYP1B1DPP4MAOBCXCL12
SCHEMBL4739052 0.85 TNFRSF1A (0.54) TNFRSF1ACYP1A1CYP1B1DPP4MAOB
SCHEMBL4740485 0.85 TNFRSF1A (0.54) TNFRSF1ACYP1A1CYP1B1DPP4MAOB
SCHEMBL4737511 0.84 PPARG (0.57) TNFRSF1AMAOB

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