SCHEMBL14779262

SCHEMBL14779262

CCC(OS(=O)(=O)c1ccc(C)cc1)C(CC)OS(=O)(=O)c1ccc(C)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.46
ALDH1A1 P00352 4/20 0.46
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
CA2 P00918 4/20 0.43
CA1 P00915 3/20 0.43
CA12 O43570 2/20 0.43
CA9 Q16790 2/20 0.43
CA3 P07451 1/20 0.43
CA6 P23280 1/20 0.43
CA5A P35218 1/20 0.43
CA7 P43166 1/20 0.43
CA5B Q9Y2D0 1/20 0.43
VDR P11473 1/20 0.42
TLR9 Q9NR96 1/20 0.42
DHODH Q02127 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
G6PD P11413 1/20 0.40
GBA1 P04062 1/20 0.40

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
SCHEMBL14778660 0.91 CA2 (0.42) GAAALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL14780014 0.91 CA2 (0.42) GAAALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL14779875 0.87 CA12 (0.50) GAAALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL8345094 0.86 GAA (0.45) GAAALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL890842 0.86 GAA (0.45) GAAALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL3838479 0.85 CA2 (0.44) GAAALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL14779305 0.85 GAA (0.43) GAAALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL92244 0.85 CA2 (0.44) GAAALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL766861 0.85 CA2 (0.44) GAAALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL9839980 0.83 GAA (0.42) GAAALDH1A1CYP3A4CYP2C9CYP2C19

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-9240614-B2 Nonaqueous electrolyte solution and electrochemical element using same UBE INDUSTRIES, LTD. (JP) 2016-01-19 US disclosed
EP-2579377-B1 NONAQUEOUS ELECTROLYTE SOLUTION AND ELECTROCHEMICAL ELEMENT USING SAME UBE INDUSTRIES (JP) 2014-09-03 EP disclosed
EP-2579377-A1 NONAQUEOUS ELECTROLYTE SOLUTION AND ELECTROCHEMICAL ELEMENT USING SAME Ube Industries, Ltd. (JP) 2013-04-10 EP disclosed
US-20130071733-A1 NONAQUEOUS ELECTROLYTE SOLUTION AND ELECTROCHEMICAL ELEMENT USING SAME UBE INDUSTRIES, LTD. (JP) 2013-03-21 US disclosed