SCHEMBL2863887

SCHEMBL2863887

CCCCc1ccccc1-c1cc(O)cc(CCCC)c1O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 6/20 0.46
PTGS2 P35354 7/20 0.45
TYR P14679 2/20 0.45
LIPG Q9Y5X9 1/20 0.40
ELANE P08246 3/20 0.40
CTSG P08311 3/20 0.40
CYP3A4 P08684 3/20 0.39
MEN1 O00255 1/20 0.39
TP53 P04637 1/20 0.39
MAPT P10636 1/20 0.39
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39
HTT P42858 1/20 0.39
KMT2A Q03164 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
ESR1 P03372 1/20 0.38
ESR2 Q92731 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
NR1H2 P55055 1/20 0.37

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
SCHEMBL2879316 0.90 PTPN1 (0.40) ALOX5PTGS2ELANECTSGESR1
SCHEMBL2857390 0.84 BACE1 (0.47) ALOX5PTGS2TYRELANECTSG
SCHEMBL2866340 0.81 GABRA1 (0.48) MAPTCYP2D6
SCHEMBL2701240 0.80 LIPG (0.50) ALOX5PTGS2TYRLIPGELANE
SCHEMBL18770767 0.79 TYR (0.51) ALOX5PTGS2TYRELANECTSG
SCHEMBL2855437 0.79 ALOX5 (0.53) ALOX5PTGS2TYRLIPGCYP3A4
SCHEMBL1760464 0.78 ALOX5 (0.61) ALOX5PTGS2TYRCYP3A4MEN1
SCHEMBL2864920 0.78 ALOX5 (0.54) ALOX5PTGS2TYRLIPGCYP3A4
SCHEMBL548498 0.78 ELANE (0.48) TYRLIPGELANECTSGCYP3A4
SCHEMBL30212610 0.78 ELANE (0.48) TYRLIPGELANECTSGCYP3A4

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