SCHEMBL2859417

SCHEMBL2859417

CCCc1ccccc1Sc1cc(O)ccc1O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.55
HPGD P15428 3/20 0.55
ALDH1A1 P00352 2/20 0.55
KDM4E B2RXH2 1/20 0.55
G6PD P11413 1/20 0.55
PKM P14618 1/20 0.55
MAPK1 P28482 1/20 0.55
RECQL P46063 1/20 0.55
CCR6 P51684 1/20 0.55
MCL1 Q07820 1/20 0.55
HKDC1 Q2TB90 1/20 0.55
SLC6A2 P23975 2/20 0.43
SLC6A4 P31645 2/20 0.43
SLC6A3 Q01959 2/20 0.43
GAA P10253 2/20 0.42
GFER P55789 2/20 0.42
P4HB P07237 1/20 0.41
MEN1 O00255 3/20 0.41
ALOX15 P16050 3/20 0.41
KMT2A Q03164 3/20 0.41

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
SCHEMBL2864854 0.91 MAPT (0.53) MAPTHPGDALDH1A1KDM4EG6PD
SCHEMBL2859187 0.90 MAPT (0.53) MAPTHPGDALDH1A1KDM4EG6PD
SCHEMBL2867929 0.88 MAPT (0.55) MAPTHPGDALDH1A1KDM4EG6PD
SCHEMBL2860928 0.87 HPGD (0.61) MAPTHPGDALDH1A1KDM4EG6PD
SCHEMBL2858607 0.87 MAPT (0.46) MAPTHPGDALDH1A1KDM4EG6PD
SCHEMBL577212 0.81 SLC6A4 (0.44) ALDH1A1MAPK1SLC6A2SLC6A4SLC6A3
SCHEMBL2865379 0.79 TYR (0.49) MAPTHPGDALDH1A1KDM4EG6PD
SCHEMBL2866430 0.77 HPGD (0.51) MAPTHPGDALDH1A1KDM4EG6PD
SCHEMBL2861841 0.76 HTR1A (0.41) MCL1SLC6A2SLC6A4SLC6A3P4HB
SCHEMBL8419009 0.75 HSD17B10 (0.58) MAPTHPGDALDH1A1KDM4EG6PD

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