SCHEMBL14778583

SCHEMBL14778583

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 3/20 0.39
CA1 P00915 3/20 0.39
STAT3 P40763 2/20 0.39
ALDH1A1 P00352 3/20 0.39
GAA P10253 1/20 0.38
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
AGER Q15109 1/20 0.37
DHODH Q02127 1/20 0.36
CA12 O43570 3/20 0.36
CA9 Q16790 3/20 0.36
VDR P11473 1/20 0.36
CA3 P07451 1/20 0.36
CA6 P23280 1/20 0.36
CA5A P35218 1/20 0.36
CA7 P43166 1/20 0.36
CA5B Q9Y2D0 1/20 0.36
CYP2D6 P10635 2/20 0.35
CYP1A2 P05177 1/20 0.35

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
SCHEMBL2058187 0.92 GAA (0.42) CA2CA1STAT3ALDH1A1GAA
SCHEMBL8345094 0.88 GAA (0.45) CA2CA1ALDH1A1GAACYP3A4
SCHEMBL16611532 0.87 ALDH1A1 (0.41) CA2CA1ALDH1A1GAACYP3A4
SCHEMBL38655018 0.87 CA1 (0.39) CA2CA1STAT3ALDH1A1GAA
SCHEMBL30831677 0.86 STAT3 (0.36) CA2STAT3ALDH1A1GAACYP3A4
SCHEMBL30831629 0.86 ALDH1A1 (0.40) CA2CA1STAT3ALDH1A1GAA
SCHEMBL3446919 0.86 STAT3 (0.41) CA2CA1STAT3ALDH1A1GAA
SCHEMBL31755287 0.86 ALDH1A1 (0.40) CA2CA1STAT3ALDH1A1GAA
SCHEMBL116672 0.86 STAT3 (0.37) CA2CA1STAT3ALDH1A1GAA
SCHEMBL14778018 0.85 PSIP1 (0.41) ALDH1A1

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