SCHEMBL2860930

SCHEMBL2860930

CCc1c(O)ccc(S)c1-c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 3/20 0.51
ESR2 Q92731 3/20 0.51
GCGR P47871 2/20 0.40
USP7 Q93009 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
POLB P06746 1/20 0.39
RECQL P46063 1/20 0.39
CNR2 P34972 1/20 0.36
ALOX5 P09917 1/20 0.34
MAPT P10636 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
PDE4A P27815 1/20 0.34
PDE4B Q07343 1/20 0.34
PDE4C Q08493 1/20 0.34
PDE4D Q08499 1/20 0.34
KDM4E B2RXH2 2/20 0.34
PTGS1 P23219 1/20 0.34
PTGS2 P35354 1/20 0.34
RCE1 Q9Y256 1/20 0.34

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
SCHEMBL2859418 0.86 ESR1 (0.42) ESR1ESR2GCGRUSP7SMN1; SMN2
SCHEMBL8926006 0.85 ESR1 (0.57) ESR1ESR2GCGRUSP7SMN1; SMN2
SCHEMBL2864856 0.83 GCGR (0.43) ESR1ESR2GCGRPOLBCNR2
SCHEMBL2859188 0.82 GCGR (0.48) ESR1ESR2GCGRPOLBCNR2
SCHEMBL2867930 0.81 GCGR (0.47) GCGRCNR2MAPTKDM4E
SCHEMBL30234292 0.80 ESR2 (0.53) ESR1ESR2GCGRUSP7SMN1; SMN2
SCHEMBL2201812 0.80 ESR2 (0.53) ESR1ESR2GCGRUSP7SMN1; SMN2
Formaldehyde SCHEMBL29141443 0.76 ESR2 (0.49) ESR1ESR2GCGRUSP7SMN1; SMN2
SCHEMBL2865434 0.76 ALOX5 (0.38) ESR1ESR2POLBRECQLALOX5
SCHEMBL2866693 0.75 GABRA1 (0.45) ESR1ESR2SMN1; SMN2CNR2MAPT

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