SCHEMBL4737428

SCHEMBL4737428

COc1ccc(C(=O)/C=C/c2ccc(O)c(Cl)c2Cl)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA3 P34903 1/20 0.68
GABRA2 P47869 1/20 0.68
GABRB2 P47870 1/20 0.68
DPP4 P27487 2/20 0.63
MAOB P27338 5/20 0.63
TNFRSF1A P19438 1/20 0.60
MAPT P10636 3/20 0.59
LMNA P02545 1/20 0.59
HPGD P15428 1/20 0.59
MAOA P21397 1/20 0.58
F3 P13726 2/20 0.57
CXCL12 P48061 1/20 0.56
PTPN1 P18031 1/20 0.56
P4HB P07237 1/20 0.56
CALM1 P0DP23 1/20 0.56
RAB9A P51151 1/20 0.56
MEN1 O00255 1/20 0.56
ALDH1A1 P00352 1/20 0.56
XDH P47989 1/20 0.56
KMT2A Q03164 1/20 0.56

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
SCHEMBL4737429 1.00 GABRA3 (0.68) GABRA3GABRA2GABRB2DPP4MAOB
SCHEMBL4739000 0.84 MAPT (0.51) GABRA3GABRA2GABRB2DPP4MAOB
SCHEMBL4738997 0.84 MAPT (0.51) GABRA3GABRA2GABRB2DPP4MAOB
SCHEMBL4736818 0.83 GABRA3 (0.47) GABRA3GABRA2GABRB2DPP4MAOB
SCHEMBL4736824 0.83 GABRA3 (0.47) GABRA3GABRA2GABRB2DPP4MAOB
SCHEMBL4139154 0.81 GABRA3 (0.78) GABRA3GABRA2GABRB2DPP4MAOB
SCHEMBL4785911 0.81 DPP4 (0.55) GABRA3GABRA2GABRB2DPP4MAOB
SCHEMBL28339980 0.81 GABRA3 (0.78) GABRA3GABRA2GABRB2DPP4MAOB
SCHEMBL4785916 0.81 DPP4 (0.55) GABRA3GABRA2GABRB2DPP4MAOB
SCHEMBL4741105 0.81 MAPT (0.56) MAOBMAPTLMNARAB9AMEN1

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 disclosed
WO-2008087365-A2 SUBSTITUTED 1, 3-DIPHENYLPROPANE DERIVATIVES, PREPARATIONS AND USES OF SAME GENFIT (FR) 2008-07-24 WO disclosed