SCHEMBL2865381

SCHEMBL2865381

CCCCc1cc(S)c(-c2ccccc2)c(CCCC)c1O

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GCGR P47871 2/20 0.40
TYR P14679 2/20 0.37
ALDH1A1 P00352 3/20 0.36
HPGD P15428 3/20 0.36
KDM4E B2RXH2 3/20 0.36
LMNA P02545 1/20 0.36
CNR2 P34972 1/20 0.36
MAOA P21397 1/20 0.36
HSD17B10 Q99714 1/20 0.36
NPC1 O15118 1/20 0.36
MAPK1 P28482 1/20 0.36
HTT P42858 1/20 0.36
RAB9A P51151 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
DCTPP1 Q9H773 1/20 0.36
HSD11B1 P28845 1/20 0.35
MAPT P10636 1/20 0.35
ESR1 P03372 1/20 0.34
ESR2 Q92731 1/20 0.34

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
SCHEMBL2868213 0.89 GCGR (0.40) GCGRTYRALDH1A1HPGDKDM4E
SCHEMBL2858608 0.88 PPARG (0.34) GCGRALDH1A1HPGDKDM4EMAPT
SCHEMBL2866432 0.79 ESR1 (0.41) GCGRALDH1A1KDM4ELMNAESR1
SCHEMBL2864856 0.78 GCGR (0.43) GCGRALDH1A1HPGDKDM4ECNR2
SCHEMBL2862581 0.78 ELANE (0.45) GCGRTYRALDH1A1KDM4ECNR2
SCHEMBL10985993 0.77 GCGR (0.45) GCGRTYRALDH1A1HPGDKDM4E
SCHEMBL2865444 0.77 PPARG (0.34) GCGRALDH1A1HPGDKDM4EHSD17B10
SCHEMBL28796643 0.76 TYR (0.45) GCGRTYRHPGDCNR2NPC1
SCHEMBL12457001 0.75 TYR (0.46) TYRCNR2HTTMAPT
SCHEMBL28422208 0.74 GCGR (0.44) GCGRALDH1A1KDM4ECNR2HSD17B10

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