SCHEMBL2861233

SCHEMBL2861233

Cc1cccc(Oc2cc(O)ccc2O)c1C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.48
TRPA1 O75762 1/20 0.44
ATM Q13315 1/20 0.44
KEAP1 Q14145 1/20 0.43
CYP1A2 P05177 2/20 0.39
CYP2C19 P33261 2/20 0.39
F2 P00734 1/20 0.39
MAPT P10636 3/20 0.39
HSD17B1 P14061 1/20 0.39
HSD17B2 P37059 1/20 0.39
ALDH1A1 P00352 1/20 0.38
NUDT1 P36639 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.37
DHFR P00374 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
HTR1B P28222 1/20 0.37
POLB P06746 1/20 0.36
LMNA P02545 1/20 0.36
RAB9A P51151 1/20 0.36

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
SCHEMBL2865455 0.87 MAOB (0.53) MAOBCYP1A2CYP2C19RAB9AGAA
SCHEMBL981349 0.82 TRPA1 (0.56) TRPA1ATMKEAP1CYP1A2CYP2C19
SCHEMBL31093955 0.82 TRPA1 (0.56) TRPA1ATMKEAP1CYP1A2CYP2C19
SCHEMBL1538371 0.79 MAPT (0.54) TRPA1ATMKEAP1CYP1A2CYP2C19
SCHEMBL29377898 0.79 MAPT (0.54) TRPA1ATMKEAP1CYP1A2CYP2C19
SCHEMBL2714037 0.77 MAOB (0.54) MAOBCYP1A2F2MAPTALDH1A1
SCHEMBL6142694 0.77 CYP3A4 (0.44) TRPA1ATMKEAP1CYP1A2CYP2C19
SCHEMBL8486101 0.77 MEN1 (0.54) TRPA1ATMKEAP1CYP1A2CYP2C19
SCHEMBL1838637 0.76 TRPA1 (0.44) TRPA1ATMKEAP1CYP1A2CYP2C19
SCHEMBL31093945 0.76 TRPA1 (0.44) TRPA1ATMKEAP1CYP1A2CYP2C19

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7713449-B2 Polymer electrolytic material, polymer electrolytic part, membrane electrode assembly, and polymer electrolyte fuel cell TORAY INDUSTRIES, INC. (JP) 2010-05-11 US disclosed
CN-100364160-C Polymer electrolyte material, polymer electrolyte part, membrane electrode composite and polymer electrolyte type fuel cell TORAY INDUSTRIES (JP) 2008-01-23 CN disclosed
US-20060180796-A1 Polymer electrolyte material, polymer electrolyte part, membrane electrode composite and polymer electrolyte type fuel cell TORAY INDUSTRIES, INC. (JP) 2006-08-17 US disclosed
CN-1757130-A Polymer electrolyte material, polymer electrolyte part, film electrode composite element and polymer electrolyte fuel cells TORAY INDUSTRIES (JP) 2006-04-05 CN disclosed
EP-1619735-A1 POLYMER ELECTROLYTE MATERIAL, POLYMER ELECTROLYTE PART, MEMBRANE ELECTRODE COMPOSITE AND POLYMER ELECTROLYTE TYPE FUEL CELL TORAY INDUSTRIES, INC. (JP) 2006-01-25 EP disclosed