SCHEMBL2863890

SCHEMBL2863890

CCCCc1c(O)cc(-c2ccccc2)c(O)c1CCCC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.47
NPC1 O15118 1/20 0.47
MAPK1 P28482 1/20 0.47
HTT P42858 1/20 0.47
RAB9A P51151 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
BACE1 P56817 2/20 0.47
PSMB5 P28074 1/20 0.46
PDE4B Q07343 2/20 0.43
KDM4E B2RXH2 4/20 0.41
PKM P14618 1/20 0.41
GCGR P47871 2/20 0.40
SLC37A4 O43826 1/20 0.40
PDE4A P27815 1/20 0.40
PDE4C Q08493 1/20 0.40
PDE4D Q08499 1/20 0.40
ALDH1A1 P00352 2/20 0.39
MEN1 O00255 1/20 0.39
CASP1 P29466 1/20 0.39
CASP7 P55210 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
SCHEMBL2879317 0.90 BACE1 (0.50) HPGDBACE1PDE4BKDM4EPDE4A
SCHEMBL2868017 0.87 BACE1 (0.47) HPGDNPC1MAPK1HTTRAB9A
SCHEMBL2865287 0.82 GCGR (0.44) HPGDNPC1MAPK1HTTRAB9A
SCHEMBL27558927 0.81 ALOX5 (0.50) HPGDBACE1KDM4EGCGRALDH1A1
SCHEMBL29925513 0.80 HPGD (0.43) HPGDNPC1MAPK1HTTRAB9A
SCHEMBL29000465 0.80 HPGD (0.43) HPGDNPC1MAPK1HTTRAB9A
SCHEMBL9747271 0.80 NPC1 (0.58) HPGDNPC1MAPK1HTTRAB9A
SCHEMBL2866342 0.80 BACE1 (0.54) HPGDBACE1PDE4BPDE4APDE4C
SCHEMBL10610552 0.79 GCGR (0.41) HPGDNPC1MAPK1HTTRAB9A
SCHEMBL324414 0.79 HPGD (0.43) HPGDNPC1MAPK1HTTRAB9A

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