SCHEMBL2853750

SCHEMBL2853750

CCCCc1cccc(Oc2cc(O)ccc2O)c1CCCC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYR P14679 2/20 0.50
ALOX5 P09917 6/20 0.44
PTGS2 P35354 4/20 0.44
HTT P42858 2/20 0.44
MEN1 O00255 1/20 0.44
TP53 P04637 1/20 0.44
CYP3A4 P08684 1/20 0.44
MAPT P10636 1/20 0.44
ALOX15 P16050 1/20 0.44
TSHR P16473 1/20 0.44
KMT2A Q03164 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
NPC1 O15118 1/20 0.41
HPGD P15428 1/20 0.41
MAPK1 P28482 1/20 0.41
RAB9A P51151 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
MAOB P27338 1/20 0.40
F2 P00734 1/20 0.39
LTB4R Q15722 1/20 0.39

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
SCHEMBL2863680 0.89 TYR (0.53) TYRALOX5PTGS2HTTMEN1
SCHEMBL2860944 0.89 MAOB (0.42) TYRALOX5PTGS2HTTMEN1
SCHEMBL980194 0.85 ALOX5 (0.49) ALOX5PTGS2HTTALOX15NPC1
SCHEMBL2862332 0.84 ALOX5 (0.53) TYRALOX5PTGS2HTTMEN1
SCHEMBL28067972 0.83 PTGS2 (0.50) ALOX5PTGS2HTTNPC1HPGD
SCHEMBL2865300 0.83 ALOX5 (0.55) TYRALOX5PTGS2HTTMEN1
SCHEMBL983295 0.81 ALOX5 (0.55) ALOX5PTGS2LTB4RLTB4R2
SCHEMBL1837196 0.81 ALOX5 (0.44) TYRALOX5PTGS2HTTNPC1
SCHEMBL985999 0.80 ALOX5 (0.54) ALOX5PTGS2LTB4RLTB4R2
SCHEMBL984426 0.80 ALOX5 (0.54) ALOX5PTGS2LTB4RLTB4R2

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