SCHEMBL6469432

SCHEMBL6469432

CCCc1c(O)cc(/C=C\c2cc(O)cc(O)c2)cc1O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LCK P06239 3/20 0.54
TTR P02766 5/20 0.50
KDM4E B2RXH2 4/20 0.50
LMNA P02545 4/20 0.50
ALOX12 P18054 3/20 0.50
TP53 P04637 3/20 0.50
CYP1A2 P05177 3/20 0.50
CYP3A4 P08684 3/20 0.50
CYP2C9 P11712 3/20 0.50
HIF1A Q16665 3/20 0.50
HSD17B10 Q99714 3/20 0.50
MEN1 O00255 3/20 0.50
ALDH1A1 P00352 3/20 0.50
MAPT P10636 3/20 0.50
HPGD P15428 3/20 0.50
KMT2A Q03164 3/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
ALOX5 P09917 3/20 0.50
PKM P14618 2/20 0.50
ALOX15 P16050 2/20 0.50

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
SCHEMBL6469429 1.00 LCK (0.54) LCKTTRKDM4ELMNAALOX12
SCHEMBL918682 1.00 LCK (0.54) LCKTTRKDM4ELMNAALOX12
SCHEMBL6470616 0.85 MAOB (0.61) LCKTTRKDM4ELMNAALOX12
SCHEMBL918652 0.85 MAOB (0.61) LCKTTRKDM4ELMNAALOX12
SCHEMBL6470614 0.85 MAOB (0.61) LCKTTRKDM4ELMNAALOX12
SCHEMBL6468964 0.81 AHR (0.54) TTRKDM4ETP53CYP3A4HSD17B10
SCHEMBL918394 0.81 PPARG (0.51) HPGDALOX5NPC1RAB9APTGS1
SCHEMBL18648480 0.81 LCK (0.61) LCKTTRKDM4ELMNAALOX12
SCHEMBL6468960 0.81 AHR (0.54) TTRKDM4ETP53CYP3A4HSD17B10
SCHEMBL918449 0.81 AHR (0.54) TTRKDM4ETP53CYP3A4HSD17B10

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