SCHEMBL14780206

SCHEMBL14780206

CCCCC(OS(=O)(=O)c1ccc(C)cc1)C(C)OS(=O)(=O)c1ccc(C)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.44
CA2 P00918 1/20 0.44
CA9 Q16790 1/20 0.44
MCHR1 Q99705 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ALDH1A1 P00352 3/20 0.39
CYP2C9 P11712 2/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C19 P33261 1/20 0.39
LMNA P02545 1/20 0.38
ALB P02768 1/20 0.38
TSHR P16473 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
CNR2 P34972 1/20 0.37
TLR9 Q9NR96 1/20 0.37
PLA2G2C Q5R387 1/20 0.37
GAA P10253 1/20 0.36
MMP13 P45452 1/20 0.36
G6PD P11413 1/20 0.36
PLAU P00749 1/20 0.36

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
SCHEMBL14778708 0.95 CA12 (0.43) CA12CA2CA9MCHR1SMN1; SMN2
SCHEMBL14779807 0.94 MCHR1 (0.43) CA12CA2CA9MCHR1SMN1; SMN2
SCHEMBL14779352 0.91 CA2 (0.50) CA12CA2CA9SMN1; SMN2ALDH1A1
SCHEMBL13214616 0.88 CA2 (0.42) CA12CA2CA9MCHR1SMN1; SMN2
SCHEMBL10346289 0.86 CA2 (0.39) CA12CA2CA9MCHR1SMN1; SMN2
SCHEMBL14778341 0.86 SMN1; SMN2 (0.43) SMN1; SMN2ALDH1A1CYP2C9CYP2C19TSHR
SCHEMBL14780014 0.85 CA2 (0.42) CA12CA2CA9SMN1; SMN2ALDH1A1
SCHEMBL31370679 0.84 CA12 (0.46) CA12CA2CA9MCHR1SMN1; SMN2
SCHEMBL4209138 0.84 CA12 (0.46) CA12CA2CA9MCHR1SMN1; SMN2
SCHEMBL4209136 0.84 CA12 (0.46) CA12CA2CA9MCHR1SMN1; SMN2

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