SCHEMBL4741100

SCHEMBL4741100

CC(C)(Oc1ccc(/C=C/C(=O)c2ccc(Oc3ccccc3)cc2)c(Cl)c1Cl)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 3/20 0.46
PPARA Q07869 2/20 0.46
MAOB P27338 2/20 0.46
SMN1; SMN2 Q16637 3/20 0.45
NPC1 O15118 3/20 0.45
ALDH1A1 P00352 2/20 0.45
RAB9A P51151 2/20 0.45
POLB P06746 1/20 0.45
HSP90AA1 P07900 1/20 0.45
TNFRSF1A P19438 3/20 0.45
MAPT P10636 4/20 0.45
LMNA P02545 3/20 0.43
HPGD P15428 2/20 0.43
KDM4E B2RXH2 1/20 0.43
ATM Q13315 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43

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
SCHEMBL4740248 1.00 PPARG (0.46) PPARGPPARAMAOBSMN1; SMN2NPC1
SCHEMBL4739052 0.89 TNFRSF1A (0.54) MAOBSMN1; SMN2NPC1ALDH1A1RAB9A
SCHEMBL4740485 0.89 TNFRSF1A (0.54) MAOBSMN1; SMN2NPC1ALDH1A1RAB9A
SCHEMBL4738538 0.87 PPARG (0.44) PPARGPPARAMAOBSMN1; SMN2NPC1
SCHEMBL4738535 0.87 PPARG (0.44) PPARGPPARAMAOBSMN1; SMN2NPC1
SCHEMBL4737599 0.85 DPP4 (0.48) PPARGPPARAMAOBSMN1; SMN2NPC1
SCHEMBL4737596 0.85 DPP4 (0.48) PPARGPPARAMAOBSMN1; SMN2NPC1
SCHEMBL4737608 0.83 TNFRSF1A (0.55) MAOBTNFRSF1A
SCHEMBL4787159 0.83 TNFRSF1A (0.55) MAOBTNFRSF1A
SCHEMBL4737511 0.83 PPARG (0.57) PPARGPPARAMAOBSMN1; SMN2NPC1

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