SCHEMBL9958068

SCHEMBL9958068

COc1ccc(OS(C)(=O)=O)c(OS(C)(=O)=O)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.56
CA2 P00918 2/20 0.56
CA9 Q16790 2/20 0.56
CA12 O43570 1/20 0.56
CA7 P43166 1/20 0.56
CA14 Q9ULX7 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.49
ALDH1A1 P00352 4/20 0.46
HPGD P15428 2/20 0.45
GAA P10253 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.44
CYP1A1 P04798 2/20 0.44
CYP1A2 P05177 2/20 0.44
CYP1B1 Q16678 2/20 0.44
CYP3A4 P08684 1/20 0.44
MEN1 O00255 1/20 0.44
MAPT P10636 1/20 0.44
THRB P10828 1/20 0.44
KMT2A Q03164 1/20 0.44
PKM P14618 1/20 0.43

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
SCHEMBL2461498 0.96 CA12 (0.63) CA1CA2CA9CA12CA7
SCHEMBL6935981 0.94 CA12 (0.65) CA1CA2CA9CA12CA7
SCHEMBL9956982 0.88 CA12 (0.52) CA1CA2CA9CA12CA7
SCHEMBL27872626 0.88 ALDH1A1 (0.45) CA1CA2CA9CA12CA7
SCHEMBL2058113 0.87 ALDH1A1 (0.50) CA1CA2CA9CA12CA7
SCHEMBL9957646 0.87 BACE1 (0.50) CA1CA2CA9CA12CA7
SCHEMBL9958325 0.86 CA1 (0.45) CA1CA2CA9CA12CA7
SCHEMBL9957685 0.86 CA12 (0.54) CA1CA2CA9CA12CA7
SCHEMBL9958016 0.85 ALDH1A1 (0.44) CA1CA2CA9CA12CA7
SCHEMBL9957777 0.85 GAA (0.47) CA1CA2CA9CA12CA7

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