SCHEMBL2858059

SCHEMBL2858059

Cc1cccc(S(=O)(=O)c2cc(O)ccc2O)c1C

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.66
ALPL P05186 1/20 0.66
ALPI P09923 1/20 0.66
ALPG P10696 1/20 0.66
DNMT1 P26358 1/20 0.66
MCL1 Q07820 1/20 0.66
TDP1 Q9NUW8 1/20 0.66
GAA P10253 3/20 0.56
ALDH1A1 P00352 1/20 0.56
PKM P14618 1/20 0.56
POLB P06746 2/20 0.54
GFER P55789 1/20 0.54
PTGS1 P23219 1/20 0.46
KMT2A Q03164 2/20 0.46
LMNA P02545 2/20 0.43
HPGD P15428 1/20 0.43
HIF1A Q16665 1/20 0.43
HSD17B10 Q99714 1/20 0.43
ATM Q13315 2/20 0.41
TRPA1 O75762 1/20 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
SCHEMBL2857406 0.87 ALPL (0.49) L3MBTL1ALPLALPIALPGDNMT1
SCHEMBL1538438 0.80 KMT2A (0.56) L3MBTL1GAAALDH1A1KMT2AATM
SCHEMBL900962 0.80 ALPL (0.74) L3MBTL1ALPLALPIALPGDNMT1
SCHEMBL30678705 0.80 ALPL (0.74) L3MBTL1ALPLALPIALPGDNMT1
SCHEMBL9634830 0.75 KMT2A (0.51) L3MBTL1GAAALDH1A1POLBKMT2A
SCHEMBL10610440 0.74 ALPL (0.81) L3MBTL1ALPLALPIALPGDNMT1
Hydroquinone SCHEMBL28072711 0.74 ESR1 (0.44) L3MBTL1ALPLALPIALPGDNMT1
SCHEMBL2867885 0.74 ALPL (0.60) L3MBTL1ALPLALPIALPGDNMT1
SCHEMBL14658858 0.73 TRPA1 (0.50) L3MBTL1ALPLALPIALPGDNMT1
SCHEMBL8059403 0.72 GAA (0.58) L3MBTL1ALPLALPIALPGDNMT1

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