SCHEMBL2863822

SCHEMBL2863822

CCc1cccc(S(=O)(=O)c2ccc(O)cc2O)c1CC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.45
ALPL P05186 1/20 0.45
ALPI P09923 1/20 0.45
ALPG P10696 1/20 0.45
DNMT1 P26358 1/20 0.45
MCL1 Q07820 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
GABRA1 P14867 1/20 0.38
GABRB2 P47870 1/20 0.38
ANPEP P15144 1/20 0.38
DPP4 P27487 1/20 0.38
LMNA P02545 1/20 0.37
HPGD P15428 1/20 0.37
HIF1A Q16665 1/20 0.37
HSD17B10 Q99714 1/20 0.37
GAA P10253 2/20 0.36
POLB P06746 1/20 0.36
GFER P55789 1/20 0.36
PDK2 Q15119 2/20 0.35
HSD11B1 P28845 1/20 0.35

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
SCHEMBL2867885 0.88 ALPL (0.60) TDP1ALPLALPIALPGDNMT1
SCHEMBL27620460 0.86 POLB (0.45) TDP1ALPLALPIALPGDNMT1
SCHEMBL10915427 0.82 GABRA1 (0.43) GABRA1GABRB2GAAHSD11B1MEN1
SCHEMBL2863827 0.77 LMNA (0.40) TDP1ALPLALPIALPGDNMT1
SCHEMBL30678708 0.77 ALPL (0.52) TDP1ALPLALPIALPGDNMT1
SCHEMBL278795 0.77 ALPL (0.52) TDP1ALPLALPIALPGDNMT1
SCHEMBL2857406 0.74 ALPL (0.49) TDP1ALPLALPIALPGDNMT1
SCHEMBL9342736 0.73 LMNA (0.43) TDP1ALPLALPIALPGDNMT1
SCHEMBL29598952 0.73 LMNA (0.43) TDP1ALPLALPIALPGDNMT1
SCHEMBL5153110 0.73 LMNA (0.43) TDP1ALPLALPIALPGDNMT1

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