SCHEMBL2853792

SCHEMBL2853792

CCCCCCc1ccc(S)c(-c2ccccc2)c1O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYR P14679 2/20 0.49
ELANE P08246 4/20 0.47
CTSG P08311 2/20 0.47
LIPG Q9Y5X9 1/20 0.44
ALOX5 P09917 2/20 0.43
PTGS2 P35354 1/20 0.43
MAPT P10636 2/20 0.43
MEN1 O00255 1/20 0.43
TP53 P04637 1/20 0.43
CYP3A4 P08684 1/20 0.43
ALOX15 P16050 1/20 0.43
TSHR P16473 1/20 0.43
HTT P42858 1/20 0.43
KMT2A Q03164 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
DHFR P00374 1/20 0.42
BID P55957 3/20 0.41
MCL1 Q07820 3/20 0.41
BCL2L1 Q07817 2/20 0.41
BAK1 Q16611 2/20 0.41

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
SCHEMBL2863982 0.98 TYR (0.46) TYRELANECTSGLIPGALOX5
SCHEMBL2862581 0.94 ELANE (0.45) TYRELANECTSGALOX5PTGS2
SCHEMBL2861843 0.88 ELANE (0.42) ELANECTSGKMT2AKDM4E
SCHEMBL2866693 0.81 GABRA1 (0.45) MAPTKDM4E
SCHEMBL27578017 0.80 ELANE (0.53) TYRELANECTSGLIPGALOX5
SCHEMBL2867930 0.79 GCGR (0.47) TYRMAPTDHFRBIDMCL1
SCHEMBL5988340 0.79 ELANE (0.49) TYRELANECTSGLIPGALOX5
SCHEMBL10435022 0.78 ELANE (0.52) TYRELANECTSGLIPGALOX5
SCHEMBL2859188 0.78 GCGR (0.48) TYRDHFRKDM4EGCGR
SCHEMBL30215705 0.77 TYR (0.53) TYRELANECTSGLIPGALOX5

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