SCHEMBL2863894

SCHEMBL2863894

CCCCc1cccc(-c2cc(O)ccc2O)c1CCCC

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYR P14679 3/20 0.53
HTT P42858 2/20 0.46
MEN1 O00255 1/20 0.46
TP53 P04637 1/20 0.46
CYP3A4 P08684 1/20 0.46
ALOX5 P09917 1/20 0.46
MAPT P10636 1/20 0.46
ALOX15 P16050 1/20 0.46
TSHR P16473 1/20 0.46
KMT2A Q03164 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
ELANE P08246 1/20 0.40
CTSG P08311 1/20 0.40
NPC1 O15118 1/20 0.40
HPGD P15428 1/20 0.40
MAPK1 P28482 1/20 0.40
RAB9A P51151 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
CNR1 P21554 1/20 0.40
CNR2 P34972 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
SCHEMBL2879321 0.88 CNR1 (0.46) TYRHTTMEN1TP53CYP3A4
SCHEMBL760579 0.84 ELANE (0.47) TYRHTTALOX5TSHRELANE
SCHEMBL324415 0.83 ELANE (0.46) TYRHTTALOX5TSHRELANE
SCHEMBL11352113 0.83 ELANE (0.46) TYRHTTALOX5TSHRELANE
SCHEMBL8674733 0.82 LIPG (0.41) TYRCYP3A4ALOX5ELANECTSG
SCHEMBL5589818 0.80 ELANE (0.49) TYRHTTALOX5ELANECTSG
SCHEMBL983916 0.80 BID (0.51) TYRALOX5MAPTALOX15ELANE
SCHEMBL985447 0.79 BID (0.54) TYRHTTMEN1TP53CYP3A4
SCHEMBL984457 0.79 BID (0.54) TYRHTTMEN1TP53CYP3A4
SCHEMBL983269 0.79 BID (0.54) TYRHTTMEN1TP53CYP3A4

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