SCHEMBL2867885

SCHEMBL2867885

CCc1cccc(S(=O)(=O)c2cc(O)ccc2O)c1CC

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALPL P05186 1/20 0.60
ALPI P09923 1/20 0.60
ALPG P10696 1/20 0.60
DNMT1 P26358 1/20 0.60
MCL1 Q07820 1/20 0.60
TDP1 Q9NUW8 1/20 0.60
L3MBTL1 Q9Y468 1/20 0.60
GAA P10253 4/20 0.50
POLB P06746 2/20 0.50
GFER P55789 1/20 0.50
LMNA P02545 1/20 0.47
HPGD P15428 1/20 0.47
HIF1A Q16665 1/20 0.47
HSD17B10 Q99714 1/20 0.47
ALDH1A1 P00352 2/20 0.46
PKM P14618 2/20 0.46
PTGS1 P23219 1/20 0.42
GABRA1 P14867 1/20 0.38
GABRB2 P47870 1/20 0.38
ANPEP P15144 1/20 0.38

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
SCHEMBL2863822 0.88 TDP1 (0.45) ALPLALPIALPGDNMT1MCL1
SCHEMBL10915427 0.82 GABRA1 (0.43) GAAGABRA1GABRB2HSD11B1
Ethylbenzene SCHEMBL27620637 0.77 GAA (0.63) ALPLALPIALPGDNMT1MCL1
SCHEMBL900962 0.77 ALPL (0.74) ALPLALPIALPGDNMT1MCL1
SCHEMBL30678705 0.77 ALPL (0.74) ALPLALPIALPGDNMT1MCL1
SCHEMBL2858059 0.74 L3MBTL1 (0.66) ALPLALPIALPGDNMT1MCL1
SCHEMBL27620460 0.73 POLB (0.45) ALPLALPIALPGDNMT1MCL1
SCHEMBL11660715 0.72 ESR1 (0.45) HIF1AGABRA1GABRB2ANPEPDPP4
SCHEMBL2052228 0.72 GABRA1 (0.45) LMNAHPGDHIF1AHSD17B10GABRA1
SCHEMBL2170005 0.72 CA2 (0.42) GABRA1GABRB2

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