SCHEMBL2858601

SCHEMBL2858601

CCCCCc1ccc(O)c(Oc2ccccc2)c1O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYR P14679 2/20 0.53
ALOX5 P09917 2/20 0.47
PTGS2 P35354 1/20 0.47
LTA4H P09960 2/20 0.44
MEN1 O00255 1/20 0.43
TP53 P04637 1/20 0.43
CYP3A4 P08684 1/20 0.43
MAPT P10636 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
ELANE P08246 2/20 0.42
CTSG P08311 2/20 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
KAT8 Q9H7Z6 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
SCHEMBL2857407 0.99 TYR (0.55) TYRALOX5PTGS2LTA4HMEN1
SCHEMBL2860915 0.95 TYR (0.46) TYRALOX5PTGS2LTA4HELANE
SCHEMBL2867827 0.89 PRKCI (0.45) TYRLTA4HMEN1MAPTKMT2A
SCHEMBL983296 0.87 TYR (0.48) TYRALOX5PTGS2LTA4HMEN1
SCHEMBL983420 0.86 TYR (0.50) TYRALOX5LTA4HMEN1TP53
SCHEMBL985765 0.86 TYR (0.50) TYRALOX5LTA4HMEN1TP53
SCHEMBL980418 0.86 TYR (0.47) TYRALOX5LTA4HMEN1TP53
SCHEMBL981505 0.86 TYR (0.50) TYRALOX5LTA4HMEN1TP53
SCHEMBL984660 0.86 TYR (0.50) TYRALOX5LTA4HMEN1TP53
SCHEMBL986000 0.86 TYR (0.50) TYRALOX5LTA4HMEN1TP53

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 3 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
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