SCHEMBL2865307

SCHEMBL2865307

CCc1cc(O)c(Oc2ccccc2)c(CC)c1O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
GLA P06280 1/20 0.46
GAA P10253 1/20 0.46
HPGD P15428 1/20 0.46
MAPK1 P28482 1/20 0.46
CASP1 P29466 1/20 0.46
CASP7 P55210 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
HSD17B10 Q99714 1/20 0.46
ALOX15 P16050 1/20 0.41
ALOX12 P18054 1/20 0.41
BCL2 P10415 1/20 0.38
MCL1 Q07820 1/20 0.38
TTR P02766 2/20 0.37
CAMK2A Q9UQM7 1/20 0.37
GABRA1 P14867 1/20 0.36
GABRB2 P47870 1/20 0.36
LTA4H P09960 1/20 0.36
THRA P10827 1/20 0.36

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
SCHEMBL2865550 0.88 KDM4E (0.46) KDM4EALDH1A1GLAGAAHPGD
SCHEMBL2860947 0.82 PPARG (0.41) KDM4EALDH1A1GLAGAAHPGD
SCHEMBL982057 0.81 KDM4E (0.45) KDM4EALDH1A1GLAGAAHPGD
SCHEMBL38654642 0.81 KDM4E (0.45) KDM4EALDH1A1GLAGAAHPGD
SCHEMBL2853752 0.80 ALOX5 (0.42) KDM4EALDH1A1GLAGAAHPGD
SCHEMBL30355027 0.79 KDM4E (0.43) KDM4EALDH1A1GLAGAAHPGD
SCHEMBL2863926 0.78 KDM4E (0.42) KDM4EALDH1A1GLAGAAHPGD
SCHEMBL2862518 0.76 KDM4E (0.39) KDM4EALDH1A1GLAGAAHPGD
SCHEMBL2856384 0.76 KDM4E (0.46) KDM4EALDH1A1GLAGAAHPGD
SCHEMBL30501705 0.76 LTA4H (0.48) KDM4EALDH1A1GLAGAAHPGD

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