SCHEMBL2860944

SCHEMBL2860944

CCCc1cccc(Oc2cc(O)ccc2O)c1CCC

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.42
F2 P00734 1/20 0.40
LTB4R Q15722 6/20 0.38
LTB4R2 Q9NPC1 5/20 0.38
TYR P14679 2/20 0.38
HMGCR P04035 1/20 0.38
KMT2A Q03164 2/20 0.37
ALOX5 P09917 2/20 0.37
PTGS2 P35354 1/20 0.37
ESR1 P03372 1/20 0.36
ESR2 Q92731 1/20 0.36
MEN1 O00255 1/20 0.36
TP53 P04637 1/20 0.36
CYP3A4 P08684 1/20 0.36
MAPT P10636 1/20 0.36
ALOX15 P16050 1/20 0.36
TSHR P16473 1/20 0.36
HTT P42858 1/20 0.36
TDP1 Q9NUW8 1/20 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
SCHEMBL2853750 0.89 TYR (0.50) MAOBF2LTB4RLTB4R2TYR
SCHEMBL2860919 0.88 SLC6A2 (0.45) MAOBF2TYRHMGCRKMT2A
SCHEMBL982656 0.84 LTB4R (0.44) LTB4RLTB4R2ALOX5PTGS2TP53
SCHEMBL28541193 0.82 LTB4R (0.44) LTB4RLTB4R2ALOX5PTGS2
SCHEMBL2865305 0.82 MAOB (0.44) MAOBF2KMT2AMAPT
SCHEMBL2863680 0.79 TYR (0.53) MAOBTYRKMT2AALOX5PTGS2
SCHEMBL1839181 0.79 LTB4R (0.38) LTB4RLTB4R2HMGCRALOX5PTGS2
SCHEMBL1836621 0.79 IAPP (0.40) LTB4RLTB4R2HMGCRALOX5PTGS2
SCHEMBL2863925 0.78 KMT2A (0.56) MAOBKMT2AMAPT
SCHEMBL2862516 0.78 LTB4R (0.41) LTB4RLTB4R2HMGCRALOX5PTGS2

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