SCHEMBL9957664

SCHEMBL9957664

COC(=O)Oc1ccc(OS(C)(=O)=O)c(OC)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA7 P43166 1/20 0.42
CA9 Q16790 1/20 0.42
CA14 Q9ULX7 1/20 0.42
PTPN1 P18031 1/20 0.41
KMT2A Q03164 3/20 0.41
ALDH1A1 P00352 4/20 0.41
CA5A P35218 1/20 0.40
GAA P10253 2/20 0.40
MEN1 O00255 1/20 0.39
MAPT P10636 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
HPGD P15428 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
LMNA P02545 1/20 0.39
NPC1 O15118 1/20 0.38
TP53 P04637 1/20 0.38
RAB9A P51151 1/20 0.38

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
SCHEMBL9958007 0.95 CA12 (0.43) CA12CA1CA2CA7CA9
SCHEMBL9958016 0.88 ALDH1A1 (0.44) CA12CA1CA2CA7CA9
SCHEMBL9957550 0.88 KMT2A (0.44) CA12CA1CA2CA7CA9
SCHEMBL9957379 0.86 TUBB4A (0.48) CA12CA1CA2CA7CA9
SCHEMBL28830235 0.85 CA12 (0.57) CA12CA1CA2CA7CA9
SCHEMBL9957628 0.85 CA12 (0.42) CA12CA1CA2CA7CA9
SCHEMBL9956982 0.82 CA12 (0.52) CA12CA1CA2CA7CA9
SCHEMBL2461498 0.82 CA12 (0.63) CA12CA1CA2CA7CA9
SCHEMBL9958039 0.81 TUBB4A (0.49) CA12CA1CA2CA7CA9
SCHEMBL28561826 0.79 MMP2 (0.46) CA12CA1CA2CA9KMT2A

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-9029024-B2 Nonaqueous electrolyte solution and electrochemical element using same UBE INDUSTRIES, LTD. (JP) 2015-05-12 US disclosed
EP-2469638-B1 NON-AQUEOUS ELECTROLYTIC SOLUTION AND ELECTROCHEMICAL DEVICE USING THE SAME UBE INDUSTRIES (JP) 2014-10-01 EP disclosed
US-20120189919-A1 NONAQUEOUS ELECTROLYTE SOLUTION AND ELECTROCHEMICAL ELEMENT USING SAME UBE INDUSTRIES, LTD. (JP) 2012-07-26 US disclosed
EP-2469638-A1 NONAQUEOUS ELECTROLYTE SOLUTION AND ELECTROCHEMICAL ELEMENT USING SAME Ube Industries, Ltd. (JP) 2012-06-27 EP disclosed