SCHEMBL9958058

SCHEMBL9958058

COc1cc(F)ccc1OS(C)(=O)=O

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.47
TSHR P16473 2/20 0.45
SMN1; SMN2 Q16637 3/20 0.44
HTT P42858 1/20 0.44
USP2 O75604 1/20 0.44
POLB P06746 1/20 0.44
MAPK1 P28482 1/20 0.44
PTPN1 P18031 1/20 0.44
NFE2L2 Q16236 1/20 0.43
CDK4 P11802 1/20 0.42
CCND1 P24385 1/20 0.42
PTGS2 P35354 1/20 0.42
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41

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
SCHEMBL9957765 0.94 KDM4E (0.49) KDM4ETSHRSMN1; SMN2HTTUSP2
SCHEMBL3746820 0.81 PTGS2 (0.43) KDM4EHTTPOLBPTGS2ALDH1A1
SCHEMBL3751243 0.81 PTGS2 (0.37) KDM4ETSHRSMN1; SMN2HTTPTGS2
SCHEMBL28755848 0.81 TSHR (0.52) KDM4ETSHRSMN1; SMN2HTTUSP2
SCHEMBL9956670 0.80 PTGS2 (0.46) TSHRSMN1; SMN2HTTPOLBMAPK1
SCHEMBL18472613 0.80 NFE2L2 (0.61) KDM4ETSHRPOLBMAPK1NFE2L2
SCHEMBL166380 0.80 NFE2L2 (0.61) KDM4ETSHRPOLBMAPK1NFE2L2
SCHEMBL9024638 0.79 PTGS2 (0.42) KDM4ETSHRSMN1; SMN2HTTPTGS2
SCHEMBL9958073 0.79 PDE4B (0.35) KDM4ETSHRSMN1; SMN2HTTPOLB
SCHEMBL2461498 0.79 CA12 (0.63) TSHRSMN1; SMN2POLBMAPK1PTPN1

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 5 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
CN-102484280-A Nonaqueous Electrolyte Solution And Electrochemical Element Using Same UBE INDUSTRIES 2012-05-30 CN disclosed