SCHEMBL9957685

SCHEMBL9957685

COc1ccc(OS(C)(=O)=O)cc1OS(C)(=O)=O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.54
CA1 P00915 1/20 0.54
CA2 P00918 1/20 0.54
CA7 P43166 1/20 0.54
CA9 Q16790 1/20 0.54
CA14 Q9ULX7 1/20 0.54
POLB P06746 2/20 0.47
TSHR P16473 1/20 0.47
MAPK1 P28482 1/20 0.47
ALDH1A1 P00352 3/20 0.46
PDE4B Q07343 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.45
MEN1 O00255 1/20 0.45
PSMD14 O00487 1/20 0.45
MAPT P10636 1/20 0.45
KMT2A Q03164 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.43
HPGD P15428 2/20 0.42
GAA P10253 2/20 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
SCHEMBL2463711 0.96 CA12 (0.59) CA12CA1CA2CA7CA9
SCHEMBL9956982 0.94 CA12 (0.52) CA12CA1CA2CA7CA9
SCHEMBL6935981 0.92 CA12 (0.65) CA12CA1CA2CA7CA9
SCHEMBL2058113 0.90 ALDH1A1 (0.50) CA12CA1CA2CA7CA9
SCHEMBL2461498 0.86 CA12 (0.63) CA12CA1CA2CA7CA9
SCHEMBL27872634 0.86 CA2 (0.44) CA12CA1CA2CA7CA9
SCHEMBL9958068 0.86 CA1 (0.56) CA12CA1CA2CA7CA9
SCHEMBL9958314 0.85 TNFSF11 (0.47) CA12CA1CA2CA7CA9
SCHEMBL9958155 0.85 ALDH1A1 (0.46) CA12CA1CA2CA7CA9
SCHEMBL9958775 0.85 ALDH1A1 (0.47) CA12CA1CA2CA7CA9

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-9029024-B2 Nonaqueous electrolyte solution and electrochemical element using same UBE INDUSTRIES, LTD. (JP) 2015-05-12 US disclosed
EP-2469638-B1 NON-AQUEOUS ELECTROLYTIC SOLUTION AND ELECTROCHEMICAL DEVICE USING THE SAME UBE INDUSTRIES (JP) 2014-10-01 EP disclosed
US-20120189919-A1 NONAQUEOUS ELECTROLYTE SOLUTION AND ELECTROCHEMICAL ELEMENT USING SAME UBE INDUSTRIES, LTD. (JP) 2012-07-26 US disclosed
EP-2469638-A1 NONAQUEOUS ELECTROLYTE SOLUTION AND ELECTROCHEMICAL ELEMENT USING SAME Ube Industries, Ltd. (JP) 2012-06-27 EP disclosed