SCHEMBL4736808

SCHEMBL4736808

CC(C)(Oc1ccc(C=CC(=O)c2cc(F)cc(C(F)(F)F)c2)c(Cl)c1Cl)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TNFRSF1A P19438 1/20 0.46
CYP1A1 P04798 11/20 0.43
CYP1B1 Q16678 11/20 0.43
DPP4 P27487 1/20 0.41
MAOB P27338 2/20 0.40
PTGDR2 Q9Y5Y4 1/20 0.37
CTSL P07711 1/20 0.36
CTSB P07858 1/20 0.36
MRGPRX4 Q96LA9 1/20 0.36

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
SCHEMBL4736804 1.00 TNFRSF1A (0.46) TNFRSF1ACYP1A1CYP1B1DPP4MAOB
SCHEMBL4787159 0.87 TNFRSF1A (0.55) TNFRSF1ACYP1A1CYP1B1DPP4MAOB
SCHEMBL4737608 0.87 TNFRSF1A (0.55) TNFRSF1ACYP1A1CYP1B1DPP4MAOB
SCHEMBL4739835 0.80 CYP1A1 (0.49) CYP1A1CYP1B1DPP4MAOB
SCHEMBL4739838 0.80 CYP1A1 (0.49) CYP1A1CYP1B1DPP4MAOB
SCHEMBL4738538 0.80 PPARG (0.44) TNFRSF1ACYP1A1CYP1B1MAOB
SCHEMBL4738535 0.80 PPARG (0.44) TNFRSF1ACYP1A1CYP1B1MAOB
SCHEMBL4737599 0.78 DPP4 (0.48) TNFRSF1ACYP1B1DPP4MAOB
SCHEMBL4737596 0.78 DPP4 (0.48) TNFRSF1ACYP1B1DPP4MAOB
SCHEMBL4740485 0.78 TNFRSF1A (0.54) TNFRSF1ACYP1A1CYP1B1DPP4MAOB

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 1 patent. 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 disclosed