SCHEMBL14780218

SCHEMBL14780218

Cc1ccc(S(=O)(=O)OC2CCC2OS(=O)(=O)c2ccc(C)cc2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.64
CYP1A2 P05177 1/20 0.64
CYP3A4 P08684 2/20 0.52
CYP2C19 P33261 1/20 0.52
GAA P10253 2/20 0.46
ENPP3 O14638 2/20 0.44
ENPP1 P22413 2/20 0.44
ENPP2 Q13822 2/20 0.44
KMT2A Q03164 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 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
CA9 Q16790 1/20 0.43
CA5B Q9Y2D0 1/20 0.43
ACHE P22303 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
SCHEMBL8744478 0.92 CYP2D6 (0.60) CYP2D6CYP1A2CYP3A4CYP2C19GAA
SCHEMBL8744474 0.92 CYP2D6 (0.60) CYP2D6CYP1A2CYP3A4CYP2C19GAA
SCHEMBL8744470 0.92 CYP2D6 (0.60) CYP2D6CYP1A2CYP3A4CYP2C19GAA
SCHEMBL14779900 0.92 CYP2D6 (0.60) CYP2D6CYP1A2CYP3A4CYP2C19GAA
SCHEMBL16712206 0.87 CYP2D6 (0.52) CYP2D6CYP1A2CYP3A4CYP2C19GAA
SCHEMBL5222514 0.86 CYP2D6 (0.55) CYP2D6CYP1A2CYP3A4CYP2C19ENPP3
SCHEMBL2632637 0.86 CYP2D6 (0.55) CYP2D6CYP1A2CYP3A4CYP2C19ENPP3
SCHEMBL5224778 0.86 CYP2D6 (0.55) CYP2D6CYP1A2CYP3A4CYP2C19GAA
SCHEMBL5222510 0.86 CYP2D6 (0.55) CYP2D6CYP1A2CYP3A4CYP2C19ENPP3
SCHEMBL5224786 0.86 CYP2D6 (0.55) CYP2D6CYP1A2CYP3A4CYP2C19GAA

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