SCHEMBL8406483

SCHEMBL8406483

CCCCC=Cc1cccc(C=Cc2ccccc2)c1O

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 2/20 0.46
IAPP P10997 1/20 0.41
PDE5A O76074 1/20 0.41
CYSLTR2 Q9NS75 2/20 0.41
CYSLTR1 Q9Y271 2/20 0.41
RELA Q04206 1/20 0.40
TTR P02766 1/20 0.40
ALOX5 P09917 1/20 0.40
PTGS1 P23219 1/20 0.40
PTGS2 P35354 1/20 0.40
CHAT P28329 1/20 0.39
NFE2L2 Q16236 3/20 0.39

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
SCHEMBL5440713 0.82 CYSLTR2 (0.48) IAPPCYSLTR2CYSLTR1
SCHEMBL8409600 0.81 IAPP (0.47) IAPPPDE5ACYSLTR2CYSLTR1
SCHEMBL8409598 0.81 IAPP (0.47) IAPPPDE5ACYSLTR2CYSLTR1
SCHEMBL1295478 0.80 SIGMAR1 (0.50) RELA
SCHEMBL22082 0.80 SIGMAR1 (0.50) RELA
SCHEMBL15573543 0.80 SIGMAR1 (0.50) RELA
SCHEMBL15797144 0.80 TRPA1 (0.68) TRPA1RELATTRALOX5PTGS1
SCHEMBL15797145 0.80 TRPA1 (0.68) TRPA1RELATTRALOX5PTGS1
SCHEMBL17666841 0.80 PTGER1 (0.48) TRPA1IAPPPDE5ACYSLTR2CYSLTR1
SCHEMBL5431024 0.78 IAPP (0.46) IAPPPDE5ACYSLTR2CYSLTR1RELA

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-0778821-B1 ORTHO-SUBSTITUTED AROMATIC ETHER COMPOUNDS AND THEIR USE IN PHARMACEUTICAL COMPOSITIONS FOR PAIN RELIEF ZENECA LTD (GB) 1999-10-20 EP disclosed
US-5965741-A ANTIINFLAMMATORY, ANTIPYRETIC AND ANTIDIARRHOEAL PROPERTIES ZENECA LIMITED (GB) 1999-10-12 US disclosed
EP-0778821-A1 ORTHO-SUBSTITUTED AROMATIC ETHER COMPOUNDS AND THEIR USE IN PHARMACEUTICAL COMPOSITIONS FOR PAIN RELIEF ZENECA LIMITED (GB) 1997-06-18 EP disclosed
WO-1996006822-A1 ORTHO-SUBSTITUTED AROMATIC ETHER COMPOUNDS AND THEIR USE IN PHARMACEUTICAL COMPOSITIONS FOR PAIN RELIEF ZENECA LIMITED (GB) 1996-03-07 WO disclosed