SCHEMBL9958699

SCHEMBL9958699

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

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.35
TUBB1 Q9H4B7 3/20 0.34
ALDH1A1 P00352 1/20 0.33
PTGS2 P35354 4/20 0.32
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
SCHEMBL9958011 0.86 TUBB1 (0.35) PTPN1TUBB1PTGS2PDE4BKRAS
SCHEMBL9958017 0.86 PTPN1 (0.35) PTPN1TUBB1PTGS2PDE4BKRAS
SCHEMBL9958259 0.80 CA12 (0.35) PTPN1TUBB1ALDH1A1PTGS2
SCHEMBL9956670 0.79 PTGS2 (0.46) PTPN1PTGS2PDE4BTSHR
SCHEMBL9958085 0.79 MEP1B (0.38) PTPN1TUBB1PTGS2PDE4BCYP1A2
SCHEMBL9958108 0.79 PTGS2 (0.40) PTPN1TUBB1PTGS2PDE4BCYP1A2
SCHEMBL7976367 0.78 TUBB1 (0.41) TUBB1ALDH1A1PTGS2
SCHEMBL9957719 0.77 PTGS2 (0.41) PTPN1TUBB1ALDH1A1PTGS2PDE4B
SCHEMBL3742731 0.77 CA1 (0.41) ALDH1A1CYP1A2ALPLTSHRHSD17B10
SCHEMBL9958701 0.76 PDE4B (0.36) PTPN1TUBB1ALDH1A1PTGS2PDE4B

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