SCHEMBL9958073

SCHEMBL9958073

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

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 1/20 0.35
KDM4E B2RXH2 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
NR3C1 P04150 1/20 0.34
PGR P06401 1/20 0.34
NR3C2 P08235 1/20 0.34
AR P10275 1/20 0.34
PTGS2 P35354 4/20 0.33
TSHR P16473 3/20 0.33
PTPN1 P18031 1/20 0.33
POLB P06746 1/20 0.33
MAPK1 P28482 1/20 0.33
CYP1A2 P05177 1/20 0.33
ALPL P05186 1/20 0.33
HSD17B10 Q99714 1/20 0.33
LMNA P02545 1/20 0.33
HTT P42858 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
SCHEMBL9958701 0.86 PDE4B (0.36) PDE4BKDM4ESMN1; SMN2PTGS2TSHR
SCHEMBL3742535 0.82 CES2 (0.36) KDM4ESMN1; SMN2PTGS2TSHRCYP1A2
SCHEMBL9957765 0.81 KDM4E (0.49) PDE4BKDM4ESMN1; SMN2PTGS2TSHR
SCHEMBL9958058 0.79 KDM4E (0.47) KDM4ESMN1; SMN2PTGS2TSHRPTPN1
SCHEMBL9958137 0.78 TUBB1 (0.35) PDE4BSMN1; SMN2PTGS2TSHRPTPN1
SCHEMBL9956670 0.78 PTGS2 (0.46) PDE4BSMN1; SMN2PTGS2TSHRPTPN1
SCHEMBL9958165 0.77 KAT6A (0.41) PDE4BKDM4ESMN1; SMN2MAPK1HSD17B10
SCHEMBL9958237 0.76 PDE4B (0.40) PDE4BKDM4ESMN1; SMN2PTGS2TSHR
SCHEMBL9957719 0.76 PTGS2 (0.41) PDE4BSMN1; SMN2PTGS2PTPN1MAPK1
SCHEMBL9957933 0.74 PTGS2 (0.41) PDE4BSMN1; SMN2PTGS2PTPN1MAPK1

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