SCHEMBL9957777

SCHEMBL9957777

COc1ccc(OS(C)(=O)=O)c(F)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.47
KMT2A Q03164 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
MAPK1 P28482 1/20 0.47
ALDH1A1 P00352 3/20 0.44
MAPT P10636 2/20 0.44
CA1 P00915 2/20 0.44
CA2 P00918 2/20 0.44
CA9 Q16790 2/20 0.44
CA12 O43570 1/20 0.44
CA7 P43166 1/20 0.44
CA14 Q9ULX7 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
CYP1A1 P04798 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP1B1 Q16678 1/20 0.42
ADRA1A P35348 1/20 0.42
TAAR1 Q96RJ0 1/20 0.42
PTGS2 P35354 1/20 0.41
CPS1 P31327 1/20 0.41

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
SCHEMBL9958562 0.86 PTGS2 (0.48) GAAKMT2ASMN1; SMN2MAPK1ALDH1A1
SCHEMBL9958068 0.85 CA1 (0.56) GAAKMT2ASMN1; SMN2ALDH1A1MAPT
SCHEMBL6935981 0.83 CA12 (0.65) KMT2ASMN1; SMN2MAPK1ALDH1A1MAPT
SCHEMBL2461498 0.81 CA12 (0.63) KMT2ASMN1; SMN2MAPK1ALDH1A1MAPT
SCHEMBL5980992 0.81 GAA (0.43) GAAKMT2ASMN1; SMN2MAPK1ALDH1A1
SCHEMBL9958325 0.80 CA1 (0.45) GAAKMT2ASMN1; SMN2ALDH1A1MAPT
SCHEMBL3746820 0.79 PTGS2 (0.43) KMT2AALDH1A1MAPTL3MBTL1PTGS2
SCHEMBL3843216 0.79 PTGS2 (0.47) CA2CA12PTGS2
SCHEMBL29809608 0.78 CA12 (0.62) GAAKMT2ASMN1; SMN2MAPK1ALDH1A1
SCHEMBL370408 0.78 CA12 (0.62) GAAKMT2ASMN1; SMN2MAPK1ALDH1A1

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 5 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
CN-102484280-A Nonaqueous Electrolyte Solution And Electrochemical Element Using Same UBE INDUSTRIES 2012-05-30 CN disclosed