SCHEMBL9958237

SCHEMBL9958237

COc1ccc(OS(C)(=O)=O)c(F)c1F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MAPK1 P28482 2/20 0.39
POLB P06746 1/20 0.39
TSHR P16473 1/20 0.39
PTGS2 P35354 5/20 0.38
TUBB1 Q9H4B7 1/20 0.38
KDM4E B2RXH2 3/20 0.38
PTPN1 P18031 1/20 0.38
KMT2A Q03164 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
S1PR4 O95977 1/20 0.36
HSP90AA1 P07900 1/20 0.36
MAPT P10636 1/20 0.36
G6PD P11413 1/20 0.36
S1PR1 P21453 1/20 0.36
OPRK1 P41145 1/20 0.36
HTT P42858 1/20 0.36
RAB9A P51151 1/20 0.36
CACNA1B Q00975 1/20 0.36

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
SCHEMBL9958165 0.88 KAT6A (0.41) PDE4BSMN1; SMN2MAPK1KDM4EKMT2A
SCHEMBL3748501 0.83 KDM4E (0.38) TSHRPTGS2KDM4EPTPN1KMT2A
SCHEMBL9958701 0.82 PDE4B (0.36) PDE4BSMN1; SMN2MAPK1POLBTSHR
SCHEMBL9958085 0.81 MEP1B (0.38) PDE4BTSHRPTGS2TUBB1KDM4E
SCHEMBL9957765 0.80 KDM4E (0.49) PDE4BSMN1; SMN2MAPK1POLBTSHR
SCHEMBL15682035 0.79 CA2 (0.47) MAPK1TSHRTUBB1KDM4ES1PR4
SCHEMBL9958058 0.79 KDM4E (0.47) SMN1; SMN2MAPK1POLBTSHRPTGS2
SCHEMBL9958108 0.77 PTGS2 (0.40) PDE4BTSHRPTGS2TUBB1KDM4E
SCHEMBL9956670 0.77 PTGS2 (0.46) PDE4BSMN1; SMN2MAPK1POLBTSHR
SCHEMBL9958073 0.76 PDE4B (0.35) PDE4BSMN1; SMN2MAPK1POLBTSHR

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