SCHEMBL2857413

SCHEMBL2857413

Cc1c(-c2ccc(O)cc2O)ccc(S(=O)(=O)c2ccc(-c3ccc(O)cc3O)c(C)c2C)c1C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.41
ALDH1A1 P00352 1/20 0.41
PKM P14618 1/20 0.41
ALPL P05186 1/20 0.41
ALPI P09923 1/20 0.41
ALPG P10696 1/20 0.41
DNMT1 P26358 1/20 0.41
MCL1 Q07820 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
ESR1 P03372 3/20 0.39
ESR2 Q92731 3/20 0.39
MAOA P21397 1/20 0.39
UGT1A1 P22309 1/20 0.39
MAOB P27338 1/20 0.39
POLB P06746 2/20 0.39
GFER P55789 1/20 0.39
PTGS1 P23219 1/20 0.38
TYR P14679 2/20 0.38
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
SCHEMBL2858066 0.90 GAA (0.43) GAAALDH1A1PKMALPLALPI
SCHEMBL30678708 0.76 ALPL (0.52) GAAALDH1A1PKMALPLALPI
SCHEMBL278795 0.76 ALPL (0.52) GAAALDH1A1PKMALPLALPI
SCHEMBL2857406 0.75 ALPL (0.49) GAAALDH1A1PKMALPLALPI
SCHEMBL2863827 0.75 LMNA (0.40) GAAALDH1A1PKMALPLALPI
SCHEMBL5155634 0.74 GAA (0.42) GAAALDH1A1PKMALPLALPI
SCHEMBL9340571 0.74 GAA (0.42) GAAALDH1A1PKMALPLALPI
SCHEMBL29599468 0.74 GAA (0.42) GAAALDH1A1PKMALPLALPI
SCHEMBL13448360 0.74 GAA (0.47) GAAALDH1A1PKMALPLALPI
SCHEMBL7875384 0.72 GAA (0.49) GAAALDH1A1PKMALPLALPI

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