SCHEMBL4736818

SCHEMBL4736818

O=C(/C=C/c1ccc(O)c(Cl)c1Cl)c1ccc(OC(F)(F)F)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA3 P34903 1/20 0.47
GABRA2 P47869 1/20 0.47
GABRB2 P47870 1/20 0.47
DPP4 P27487 2/20 0.44
CYP1A1 P04798 3/20 0.44
CYP1B1 Q16678 3/20 0.44
MAPT P10636 4/20 0.44
MAPK1 P28482 1/20 0.44
MAOB P27338 3/20 0.43
LMNA P02545 2/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
HPGD P15428 1/20 0.43
CHRNA7 P36544 1/20 0.43
CAPN1 P07384 1/20 0.42
CTSL P07711 1/20 0.42
CTSB P07858 1/20 0.42
P4HB P07237 1/20 0.41
ABCG2 Q9UNQ0 1/20 0.41
TNFRSF1A P19438 1/20 0.41

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
SCHEMBL4736824 1.00 GABRA3 (0.47) GABRA3GABRA2GABRB2DPP4CYP1A1
SCHEMBL4741756 0.83 GABRA3 (0.48) GABRA3GABRA2GABRB2CYP1A1CYP1B1
SCHEMBL4741758 0.83 GABRA3 (0.48) GABRA3GABRA2GABRB2CYP1A1CYP1B1
SCHEMBL4737428 0.83 GABRA3 (0.68) GABRA3GABRA2GABRB2DPP4MAPT
SCHEMBL4737429 0.83 GABRA3 (0.68) GABRA3GABRA2GABRB2DPP4MAPT
SCHEMBL4737441 0.83 CYP1A1 (0.58) DPP4CYP1A1CYP1B1MAPTMAPK1
SCHEMBL4737444 0.83 CYP1A1 (0.58) DPP4CYP1A1CYP1B1MAPTMAPK1
SCHEMBL217753 0.81 ERCC5 (0.47) MAOBCYP2D6
SCHEMBL217754 0.81 ERCC5 (0.47) MAOBCYP2D6
SCHEMBL4738997 0.81 MAPT (0.51) GABRA3GABRA2GABRB2DPP4CYP1B1

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