SCHEMBL14779609

SCHEMBL14779609

Cc1ccc(S(=O)(=O)OC(C)CCCCC(C)OS(=O)(=O)c2ccc(C)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
GBA1 P04062 1/20 0.44
CA2 P00918 4/20 0.42
CA9 Q16790 4/20 0.42
CA12 O43570 3/20 0.42
TSHR P16473 1/20 0.42
GAA P10253 1/20 0.42
G6PD P11413 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
CA1 P00915 2/20 0.39
CA7 P43166 2/20 0.39
CA3 P07451 1/20 0.39
CA6 P23280 1/20 0.39
CA5A P35218 1/20 0.39
CA5B Q9Y2D0 1/20 0.39
VDR P11473 1/20 0.39

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
SCHEMBL14778847 0.98 ALDH1A1 (0.43) ALDH1A1CYP3A4CYP2C9CYP2C19GBA1
SCHEMBL14780035 0.98 ALDH1A1 (0.43) ALDH1A1CYP3A4CYP2C9CYP2C19GBA1
SCHEMBL14778349 0.96 ALDH1A1 (0.44) ALDH1A1CYP3A4CYP2C9CYP2C19GBA1
SCHEMBL9227919 0.94 CA12 (0.45) ALDH1A1CYP3A4CYP2C9CYP2C19GBA1
SCHEMBL9060708 0.94 CA12 (0.45) ALDH1A1CYP3A4CYP2C9CYP2C19GBA1
SCHEMBL9060692 0.94 CA12 (0.45) ALDH1A1CYP3A4CYP2C9CYP2C19GBA1
SCHEMBL5830519 0.93 GBA1 (0.46) ALDH1A1CYP3A4CYP2C9CYP2C19GBA1
SCHEMBL5245093 0.93 GBA1 (0.46) ALDH1A1CYP3A4CYP2C9CYP2C19GBA1
SCHEMBL10932836 0.93 GBA1 (0.46) ALDH1A1CYP3A4CYP2C9CYP2C19GBA1
SCHEMBL8744438 0.92 MCHR1 (0.46) ALDH1A1CYP3A4CYP2C9CYP2C19GBA1

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