SCHEMBL4740485

SCHEMBL4740485

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

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNFRSF1A P19438 2/20 0.54
MAOB P27338 5/20 0.53
MAPT P10636 4/20 0.53
LMNA P02545 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
HPGD P15428 1/20 0.53
KDM4E B2RXH2 1/20 0.53
ATM Q13315 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
ABCG2 Q9UNQ0 1/20 0.52
DPP4 P27487 2/20 0.51
ALDH1A1 P00352 2/20 0.49
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
MAOA P21397 1/20 0.49
PTPN1 P18031 2/20 0.48
GABRA3 P34903 1/20 0.48
GABRA2 P47869 1/20 0.48
GABRB2 P47870 1/20 0.48
CYP1B1 Q16678 2/20 0.48

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
SCHEMBL4739052 1.00 TNFRSF1A (0.54) TNFRSF1AMAOBMAPTLMNASMN1; SMN2
SCHEMBL4741100 0.89 PPARG (0.46) TNFRSF1AMAOBMAPTLMNASMN1; SMN2
SCHEMBL4738535 0.89 PPARG (0.44) TNFRSF1AMAOBMAPTLMNASMN1; SMN2
SCHEMBL4740248 0.89 PPARG (0.46) TNFRSF1AMAOBMAPTLMNASMN1; SMN2
SCHEMBL4738538 0.89 PPARG (0.44) TNFRSF1AMAOBMAPTLMNASMN1; SMN2
SCHEMBL4737599 0.87 DPP4 (0.48) TNFRSF1AMAOBMAPTLMNASMN1; SMN2
SCHEMBL4737596 0.87 DPP4 (0.48) TNFRSF1AMAOBMAPTLMNASMN1; SMN2
SCHEMBL4737511 0.85 PPARG (0.57) TNFRSF1AMAOBMAPTLMNASMN1; SMN2
SCHEMBL4737608 0.85 TNFRSF1A (0.55) TNFRSF1AMAOBDPP4CYP1B1CYP1A1
SCHEMBL4787159 0.85 TNFRSF1A (0.55) TNFRSF1AMAOBDPP4CYP1B1CYP1A1

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