SCHEMBL4740433

SCHEMBL4740433

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

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP1A1 P04798 16/20 0.47
CYP1B1 Q16678 16/20 0.47
DPP4 P27487 1/20 0.46
MAOB P27338 3/20 0.42
PPARG P37231 1/20 0.39
PPARD Q03181 1/20 0.39
PPARA Q07869 1/20 0.39
CXCL12 P48061 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
SCHEMBL14146303 1.00 CYP1A1 (0.47) CYP1A1CYP1B1DPP4MAOBPPARG
SCHEMBL4739015 0.90 CYP1A1 (0.50) CYP1A1CYP1B1DPP4MAOB
SCHEMBL4739013 0.90 CYP1A1 (0.50) CYP1A1CYP1B1DPP4MAOB
SCHEMBL14146267 0.89 CYP1A1 (0.44) CYP1A1CYP1B1DPP4MAOBCXCL12
SCHEMBL14146240 0.81 CYP1A1 (0.47) CYP1A1CYP1B1DPP4MAOBCXCL12
SCHEMBL4737608 0.76 TNFRSF1A (0.55) CYP1A1CYP1B1DPP4MAOBCXCL12
SCHEMBL4787159 0.76 TNFRSF1A (0.55) CYP1A1CYP1B1DPP4MAOBCXCL12
SCHEMBL21991773 0.72 PPARG (0.60) PPARGPPARA
SCHEMBL4737444 0.71 CYP1A1 (0.58) CYP1A1CYP1B1DPP4MAOBCXCL12
SCHEMBL4737441 0.71 CYP1A1 (0.58) CYP1A1CYP1B1DPP4MAOBCXCL12

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