SCHEMBL9958103

SCHEMBL9958103

COc1cc(OS(C)(=O)=O)cc(F)c1F

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TUBB1 Q9H4B7 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.36
ALDH1A1 P00352 2/20 0.36
LMNA P02545 1/20 0.36
PTGS2 P35354 9/20 0.35
KMT2A Q03164 2/20 0.34
GAA P10253 1/20 0.34
MAPK1 P28482 1/20 0.34
MEN1 O00255 1/20 0.34
PSMD14 O00487 1/20 0.34
POLB P06746 1/20 0.34
MAPT P10636 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
HPGD P15428 1/20 0.33
PTPN1 P18031 1/20 0.33

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
SCHEMBL3738486 0.85 HPGD (0.39) TUBB1ALDH1A1GAAHPGD
SCHEMBL9958555 0.79 LMNA (0.43) SMN1; SMN2ALDH1A1LMNAKMT2AGAA
SCHEMBL9958562 0.79 PTGS2 (0.48) TUBB1SMN1; SMN2ALDH1A1LMNAPTGS2
SCHEMBL12258658 0.77 HPGD (0.40) SMN1; SMN2ALDH1A1KMT2AGAAMAPK1
SCHEMBL2455543 0.77 ACHE (0.46) TUBB1ALDH1A1PTGS2GAAMAPT
SCHEMBL9958701 0.76 PDE4B (0.36) TUBB1SMN1; SMN2ALDH1A1PTGS2KMT2A
SCHEMBL9958203 0.75 PTGS2 (0.35) TUBB1SMN1; SMN2PTGS2
SCHEMBL9956670 0.75 PTGS2 (0.46) SMN1; SMN2LMNAPTGS2MAPK1POLB
SCHEMBL17355702 0.75 HPGD (0.41) ALDH1A1PTGS2KMT2AGAAHPGD
SCHEMBL9958073 0.74 PDE4B (0.35) SMN1; SMN2LMNAPTGS2MAPK1POLB

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