SCHEMBL9958017

SCHEMBL9958017

COc1c(OS(C)(=O)=O)cc(F)c(F)c1F

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.35
TUBB1 Q9H4B7 3/20 0.34
PTGS2 P35354 4/20 0.32
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 1/20 0.31
PDE4B Q07343 1/20 0.31
KRAS P01116 2/20 0.31
CYP1A2 P05177 1/20 0.31
ALPL P05186 1/20 0.31
TSHR P16473 1/20 0.31
HSD17B10 Q99714 1/20 0.31

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
SCHEMBL9958699 0.86 PTPN1 (0.35) PTPN1TUBB1PTGS2PDE4BKRAS
SCHEMBL9958011 0.86 TUBB1 (0.35) PTPN1TUBB1PTGS2CA1CA2
SCHEMBL9956670 0.79 PTGS2 (0.46) PTPN1PTGS2PDE4BTSHR
SCHEMBL9958203 0.79 PTGS2 (0.35) TUBB1PTGS2
SCHEMBL9958137 0.79 TUBB1 (0.35) PTPN1TUBB1PTGS2PDE4BKRAS
SCHEMBL9958108 0.79 PTGS2 (0.40) PTPN1TUBB1PTGS2PDE4BCYP1A2
SCHEMBL15453980 0.78 KDM4E (0.36) CA1CA2CA9PDE4BCYP1A2
SCHEMBL9957719 0.77 PTGS2 (0.41) PTPN1TUBB1PTGS2PDE4B
SCHEMBL9958259 0.76 CA12 (0.35) PTPN1TUBB1PTGS2CA1CA2
SCHEMBL9958085 0.75 MEP1B (0.38) PTPN1TUBB1PTGS2PDE4BCYP1A2

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