SCHEMBL6468964

SCHEMBL6468964

CCCc1c(O)cc(/C=C\c2ccccc2)cc1O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHR P35869 1/20 0.54
PPARG P37231 1/20 0.51
PPARA Q07869 1/20 0.51
TTR P02766 1/20 0.50
ALOX5 P09917 1/20 0.50
PTGS1 P23219 1/20 0.50
PTGS2 P35354 1/20 0.50
TUBB1 Q9H4B7 2/20 0.47
MAOA P21397 1/20 0.45
MAOB P27338 1/20 0.45
HPGD P15428 2/20 0.45
CYP3A4 P08684 2/20 0.45
KDM4E B2RXH2 1/20 0.45
MEN1 O00255 1/20 0.45
USP2 O75604 1/20 0.45
ALDH1A1 P00352 1/20 0.45
TP53 P04637 1/20 0.45
MAPT P10636 1/20 0.45
KMT2A Q03164 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45

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
SCHEMBL6468960 1.00 AHR (0.54) AHRPPARGPPARATTRALOX5
SCHEMBL918449 1.00 AHR (0.54) AHRPPARGPPARATTRALOX5
SCHEMBL25193990 0.89 AHR (0.47) AHRPPARGPPARATTRALOX5
SCHEMBL31164533 0.89 AHR (0.47) AHRPPARGPPARATTRALOX5
SCHEMBL6470750 0.87 AHR (0.49) AHRPPARGPPARATTRALOX5
SCHEMBL919137 0.87 AHR (0.49) AHRPPARGPPARATTRALOX5
SCHEMBL919139 0.87 AHR (0.49) AHRPPARGPPARATTRALOX5
SCHEMBL6470616 0.86 MAOB (0.61) PPARGPPARATTRALOX5PTGS1
SCHEMBL918652 0.86 MAOB (0.61) PPARGPPARATTRALOX5PTGS1
SCHEMBL6470614 0.86 MAOB (0.61) PPARGPPARATTRALOX5PTGS1

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 4 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
EP-1554236-A1 NOVEL BIOACTIVE DIPHENYL ETHENE COMPOUNDS AND THEIR THERAPEUTIC APPLICATIONS Welichem Biotech Inc. (CA) 2005-07-20 EP disclosed
WO-2004031117-A1 NOVEL BIOACTIVE DIPHENYL ETHENE COMPOUNDS AND THEIR THERAPEUTIC APPLICATIONS WELICHEM BIOTECH INC. (CA) 2004-04-15 WO disclosed