SCHEMBL2867962

SCHEMBL2867962

CCCCc1cc(O)c(Oc2ccccc2)c(O)c1CCCC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.41
NPSR1 Q6W5P4 3/20 0.41
MAPK1 P28482 2/20 0.41
NPC1 O15118 1/20 0.41
HTT P42858 1/20 0.41
RAB9A P51151 1/20 0.41
LTA4H P09960 2/20 0.41
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 2/20 0.40
HSD17B10 Q99714 2/20 0.40
GLA P06280 1/20 0.40
GAA P10253 1/20 0.40
CASP1 P29466 1/20 0.40
CASP7 P55210 1/20 0.40
TYR P14679 2/20 0.40
ALOX5 P09917 1/20 0.39
ESR1 P03372 3/20 0.38
ESR2 Q92731 3/20 0.38
USP2 O75604 1/20 0.37
CA2 P00918 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
SCHEMBL2853752 0.89 ALOX5 (0.42) HPGDNPSR1MAPK1NPC1HTT
SCHEMBL2862518 0.89 KDM4E (0.39) HPGDNPSR1MAPK1LTA4HKDM4E
SCHEMBL2860915 0.81 TYR (0.46) LTA4HTYRALOX5ESR1ESR2
SCHEMBL980196 0.80 LTA4H (0.42) HPGDNPSR1MAPK1NPC1HTT
SCHEMBL8022512 0.80 LTA4H (0.42) HPGDNPSR1MAPK1NPC1HTT
SCHEMBL2865550 0.80 KDM4E (0.46) HPGDNPSR1MAPK1LTA4HKDM4E
SCHEMBL2863685 0.78 LTA4H (0.46) HPGDNPSR1MAPK1NPC1HTT
SCHEMBL980418 0.78 TYR (0.47) HTTLTA4HTYRALOX5TSHR
SCHEMBL30355027 0.77 KDM4E (0.43) HPGDNPSR1MAPK1KDM4EALDH1A1
SCHEMBL2860947 0.77 PPARG (0.41) HPGDNPSR1MAPK1LTA4HKDM4E

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 3 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
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