SCHEMBL2859418

SCHEMBL2859418

CCCc1c(O)ccc(S)c1-c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 2/20 0.42
ESR2 Q92731 2/20 0.42
PPARG P37231 1/20 0.39
CNR2 P34972 1/20 0.38
HPGD P15428 2/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36
GCGR P47871 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
BACE1 P56817 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
GRIN2B Q13224 1/20 0.34
USP7 Q93009 1/20 0.33
RXRA P19793 1/20 0.33
NR4A2 P43354 1/20 0.33
PDE4B Q07343 1/20 0.33
PDE4D Q08499 1/20 0.33

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
SCHEMBL2864856 0.90 GCGR (0.43) ESR1ESR2CNR2HPGDKDM4E
SCHEMBL2859188 0.89 GCGR (0.48) ESR1ESR2CNR2HPGDKDM4E
SCHEMBL2867930 0.88 GCGR (0.47) CNR2KDM4EGCGR
SCHEMBL2860930 0.86 ESR1 (0.51) ESR1ESR2CNR2KDM4EGCGR
SCHEMBL17473174 0.86 ESR1 (0.46) ESR1ESR2CNR2HPGDKDM4E
SCHEMBL28420770 0.81 KDM4E (0.41) ESR1ESR2PPARGHPGDKDM4E
SCHEMBL28416840 0.81 GCGR (0.39) PPARGHPGDKDM4EALDH1A1GAA
SCHEMBL2201210 0.81 ESR2 (0.43) ESR1ESR2CNR2HPGDKDM4E
SCHEMBL29584904 0.80 ESR1 (0.45) ESR1ESR2PPARGCNR2KDM4E
Phenol SCHEMBL11324277 0.78 USP7 (0.43) ESR1ESR2CNR2HPGDALDH1A1

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