SCHEMBL2858604

SCHEMBL2858604

CCCCCc1c(O)cccc1OOc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 7/20 0.46
CNR2 P34972 7/20 0.46
ALOX5 P09917 1/20 0.43
PTGS2 P35354 1/20 0.43
BID P55957 3/20 0.41
MCL1 Q07820 3/20 0.41
BCL2L1 Q07817 2/20 0.41
BAK1 Q16611 2/20 0.41
KAT8 Q9H7Z6 2/20 0.41
PPARG P37231 1/20 0.41
PPARA Q07869 1/20 0.41
EP300 Q09472 1/20 0.41
KAT2A Q92830 1/20 0.41
KAT2B Q92831 1/20 0.41
KAT5 Q92993 1/20 0.41
SAE1 Q9UBE0 1/20 0.41
GCGR P47871 1/20 0.40

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
SCHEMBL2857412 0.99 CNR1 (0.47) CNR1CNR2ALOX5PTGS2BID
SCHEMBL2860918 0.95 CNR1 (0.41) CNR1CNR2ALOX5PTGS2BID
SCHEMBL2867830 0.89 TP53 (0.36) CNR1CNR2
SCHEMBL2856387 0.83 TP53 (0.38)
SCHEMBL7044011 0.80 ALOX5 (0.61) CNR1CNR2ALOX5PTGS2PPARA
Benzene SCHEMBL28238371 0.79 BID (0.54) BIDMCL1BCL2L1BAK1KAT8
SCHEMBL28322025 0.78 CNR1 (0.62) CNR1CNR2ALOX5PTGS2
SCHEMBL27894235 0.78 ALOX5 (0.59) CNR1CNR2ALOX5PTGS2PPARA
Toluene SCHEMBL28294922 0.78 CNR1 (0.50) CNR1CNR2ALOX5PTGS2BID
SCHEMBL2867966 0.78 LTA4H (0.47) CNR1

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