SCHEMBL9958085

SCHEMBL9958085

COc1c(F)ccc(OS(C)(=O)=O)c1F

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEP1B Q16820 1/20 0.38
PTPN1 P18031 1/20 0.37
PTGS2 P35354 7/20 0.37
TUBB1 Q9H4B7 1/20 0.34
KDM4E B2RXH2 1/20 0.34
KMT2A Q03164 1/20 0.34
CYP1A2 P05177 1/20 0.34
ALPL P05186 1/20 0.34
TSHR P16473 1/20 0.34
HSD17B10 Q99714 1/20 0.34
PDE4B Q07343 1/20 0.34
PTGS1 P23219 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
SCHEMBL9958108 0.86 PTGS2 (0.40) PTPN1PTGS2TUBB1KDM4EKMT2A
SCHEMBL9958548 0.81 PTGS2 (0.36) MEP1BPTPN1PTGS2
SCHEMBL9958237 0.81 PDE4B (0.40) PTPN1PTGS2TUBB1KDM4EKMT2A
SCHEMBL3748501 0.81 KDM4E (0.38) PTPN1PTGS2KDM4EKMT2ACYP1A2
SCHEMBL9958011 0.79 TUBB1 (0.35) PTPN1PTGS2TUBB1CYP1A2ALPL
SCHEMBL9958699 0.79 PTPN1 (0.35) PTPN1PTGS2TUBB1CYP1A2ALPL
SCHEMBL11028834 0.79 KMT2A (0.42) PTPN1KMT2A
SCHEMBL30536684 0.78 MEP1B (0.41) MEP1BTUBB1
SCHEMBL7960327 0.78 MEP1B (0.41) MEP1BTUBB1
SCHEMBL29206858 0.76 KDM4E (0.35) PTPN1PTGS2KDM4EKMT2ACYP1A2

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