SCHEMBL2853741

SCHEMBL2853741

Cc1ccccc1Sc1c(O)cccc1O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 2/20 0.46
ATM Q13315 1/20 0.46
ALDH1A1 P00352 4/20 0.41
HAO1 Q9UJM8 1/20 0.41
HTR1A P08908 2/20 0.38
HTR3A P46098 2/20 0.38
CYP1A2 P05177 1/20 0.37
CYP2C19 P33261 1/20 0.37
AR P10275 1/20 0.37
CA2 P00918 3/20 0.36
MAPT P10636 3/20 0.36
HSD17B10 Q99714 3/20 0.36
TSHR P16473 3/20 0.36
KDM4E B2RXH2 2/20 0.36
POLB P06746 2/20 0.36
RECQL P46063 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
ALOX15 P16050 2/20 0.36
NPC1 O15118 2/20 0.36
LMNA P02545 2/20 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
SCHEMBL2863653 0.86 TRPA1 (0.56) TRPA1ATMALDH1A1HTR1AHTR3A
SCHEMBL9488226 0.84 HAO1 (0.47) ALDH1A1HAO1HTR1AHTR3ACYP1A2
SCHEMBL11123654 0.83 ALOX15 (0.45) TRPA1ATMALDH1A1HAO1HTR1A
SCHEMBL29673665 0.78 TRPA1 (0.54) TRPA1ATMALDH1A1CYP1A2CYP2C19
SCHEMBL2028905 0.78 TRPA1 (0.54) TRPA1ATMALDH1A1CYP1A2CYP2C19
SCHEMBL8378011 0.77 HAO1 (0.37) TRPA1ATMALDH1A1HAO1HTR1A
SCHEMBL576094 0.77 ACHE (0.53) ALDH1A1HAO1HTR1AHTR3ACYP1A2
SCHEMBL15706716 0.75 AR (0.47) ALDH1A1HAO1HTR1AHTR3AAR
SCHEMBL14644822 0.75 HTR1A (0.38) TRPA1ALDH1A1HAO1HTR1AHTR3A
SCHEMBL2866692 0.75 GABRA1 (0.47) ALDH1A1CYP2C19MAPTTSHRKDM4E

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
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
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