SCHEMBL9958562

SCHEMBL9958562

COc1ccc(OS(C)(=O)=O)cc1F

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 9/20 0.48
MAPK1 P28482 2/20 0.46
LMNA P02545 2/20 0.46
HTT P42858 1/20 0.46
RAB9A P51151 1/20 0.46
TUBB1 Q9H4B7 2/20 0.45
KMT2A Q03164 3/20 0.43
PTGS1 P23219 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
GAA P10253 1/20 0.43
ALDH1A1 P00352 3/20 0.42
MAPT P10636 2/20 0.42
MEN1 O00255 1/20 0.42
PSMD14 O00487 1/20 0.42
POLB P06746 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
FPR2 P25090 1/20 0.42
PROKR1 Q8TCW9 1/20 0.42
MEP1B Q16820 1/20 0.40

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
SCHEMBL9958555 0.86 LMNA (0.43) MAPK1LMNAHTTKMT2ASMN1; SMN2
SCHEMBL9957777 0.86 GAA (0.47) PTGS2MAPK1LMNAKMT2ASMN1; SMN2
SCHEMBL9957685 0.83 CA12 (0.54) MAPK1KMT2ASMN1; SMN2GAAALDH1A1
SCHEMBL2463711 0.83 CA12 (0.59) MAPK1LMNAHTTTUBB1KMT2A
SCHEMBL22444694 0.83 MAPK1 (0.47) PTGS2MAPK1LMNAHTTRAB9A
SCHEMBL9956982 0.81 CA12 (0.52) MAPK1LMNAKMT2ASMN1; SMN2GAA
SCHEMBL3738482 0.81 SOS1 (0.49) PTGS2PTGS1GAAALDH1A1
SCHEMBL9958775 0.80 ALDH1A1 (0.47) PTGS2MAPK1LMNAHTTKMT2A
SCHEMBL9958103 0.79 TUBB1 (0.38) PTGS2MAPK1LMNATUBB1KMT2A
SCHEMBL370408 0.78 CA12 (0.62) MAPK1LMNAHTTRAB9ATUBB1

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