SCHEMBL6450486

SCHEMBL6450486

CCCc1c(O)cc(/C=C\c2c(F)cc(F)cc2F)cc1O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 2/20 0.41
PPARA Q07869 2/20 0.41
PTGS2 P35354 5/20 0.38
PTGS1 P23219 5/20 0.38
NPC1 O15118 1/20 0.35
HPGD P15428 1/20 0.35
MAPK1 P28482 1/20 0.35
HTT P42858 1/20 0.35
RAB9A P51151 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35
TUBB1 Q9H4B7 2/20 0.34
ALOX5 P09917 3/20 0.33
CYP19A1 P11511 3/20 0.33
TRPV1 Q8NER1 1/20 0.33
CYP3A4 P08684 1/20 0.33
NQO2 P16083 1/20 0.32
CNR1 P21554 1/20 0.32
CNR2 P34972 1/20 0.32

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
SCHEMBL6450483 1.00 PPARG (0.41) PPARGPPARAPTGS2PTGS1NPC1
SCHEMBL6311612 1.00 PPARG (0.41) PPARGPPARAPTGS2PTGS1NPC1
SCHEMBL6469802 0.87 PPARG (0.51) PPARGPPARAPTGS2PTGS1NPC1
SCHEMBL918394 0.87 PPARG (0.51) PPARGPPARAPTGS2PTGS1NPC1
SCHEMBL919014 0.86 NFE2L2 (0.46) PPARGPPARAPTGS2PTGS1MAOA
SCHEMBL6469241 0.84 NPC1 (0.37) PPARGPPARAPTGS2PTGS1NPC1
SCHEMBL6469243 0.84 NPC1 (0.37) PPARGPPARAPTGS2PTGS1NPC1
SCHEMBL918379 0.84 NPC1 (0.37) PPARGPPARAPTGS2PTGS1NPC1
SCHEMBL6469970 0.81 PPARG (0.53) PPARGPPARAPTGS2PTGS1MAOA
SCHEMBL919514 0.81 PPARG (0.53) PPARGPPARAPTGS2PTGS1MAOA

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
EP-1554236-A1 NOVEL BIOACTIVE DIPHENYL ETHENE COMPOUNDS AND THEIR THERAPEUTIC APPLICATIONS Welichem Biotech Inc. (CA) 2005-07-20 EP claimed
WO-2004031117-A1 NOVEL BIOACTIVE DIPHENYL ETHENE COMPOUNDS AND THEIR THERAPEUTIC APPLICATIONS WELICHEM BIOTECH INC. (CA) 2004-04-15 WO claimed