SCHEMBL10180451

SCHEMBL10180451

O=S(=O)(CC(F)(F)F)c1ccccc1C1CCCCC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.43
HSD11B1 P28845 2/20 0.42
PTGDR2 Q9Y5Y4 1/20 0.38
PTPN5 P54829 3/20 0.36
PTPN2 P17706 1/20 0.36
PTPN1 P18031 2/20 0.36
PTPRC P08575 1/20 0.36
PTPRF P10586 1/20 0.36
CDC25B P30305 1/20 0.36
DRD2 P14416 1/20 0.34
DRD1 P21728 1/20 0.34
DRD4 P21917 1/20 0.34
DRD5 P21918 1/20 0.34
DRD3 P35462 1/20 0.34
GAA P10253 1/20 0.34
HTT P42858 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
PTGES2 Q9H7Z7 1/20 0.34
RIPK1 Q13546 1/20 0.34
PNMT P11086 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
SCHEMBL10181236 0.98 HSD11B1 (0.43) PTGS2HSD11B1PTGDR2PTPN5PTPN2
SCHEMBL10179841 0.81 PTGS2 (0.48) PTGS2HSD11B1PTGDR2PTPN1PTPRC
SCHEMBL10179917 0.80 PTGS2 (0.47) PTGS2HSD11B1PTGDR2PTPN5PTPN2
SCHEMBL10179872 0.79 PTGS2 (0.45) PTGS2HSD11B1PTGDR2DRD1DRD3
SCHEMBL10179567 0.78 TSHR (0.49) PTGS2PTGDR2
SCHEMBL10180450 0.78 PTGS2 (0.43) PTGS2HSD11B1PTGDR2PTPN5PTPN2
SCHEMBL10179748 0.78 HSD11B1 (0.46) PTGS2HSD11B1PTGDR2PTPN5PTPN2
SCHEMBL10180538 0.77 PTGS2 (0.49) PTGS2HSD11B1PTGDR2PTPN1PTPRC
SCHEMBL10181659 0.76 TSHR (0.50) PTGS2PTGDR2
SCHEMBL10181233 0.76 HSD11B1 (0.42) PTGS2HSD11B1PTGDR2PTPN5PTPN2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130244122-A1 NONAQUEOUS ELECTROLYTIC SOLUTION AND NONAQUEOUS-ELECTROLYTE BATTERY EMPLOYING THE SAME ONUKI MASAMICHI (JP) 2013-09-19 US disclosed
US-20120219866-A1 NONAQUEOUS ELECTROLYTIC SOLUTION AND NONAQUEOUS-ELECTROLYTE BATTERY EMPLOYING THE SAME MITSUBISHI CHEMICAL CORPORATION (JP) 2012-08-30 US disclosed
EP-2475041-A1 NON-AQUEOUS ELECTROLYTIC SOLUTION, AND NON-AQUEOUS ELECTROLYTE BATTERY COMPRISING SAME Mitsubishi Chemical Corporation (JP) 2012-07-11 EP disclosed