SCHEMBL10179999

SCHEMBL10179999

O=S(=O)(c1ccccc1C1CCCC1)c1ccccc1C1CCCC1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 2/20 0.48
PTGS2 P35354 1/20 0.46
PTGDR2 Q9Y5Y4 1/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
ALDH1A1 P00352 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
FFAR2 O15552 1/20 0.39
PTPN1 P18031 2/20 0.38
PTGES2 Q9H7Z7 1/20 0.38
HTR6 P50406 1/20 0.37
PTPRC P08575 1/20 0.37
PTPRF P10586 1/20 0.37
CDC25B P30305 1/20 0.37
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 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
SCHEMBL10180538 0.98 PTGS2 (0.49) HSD11B1PTGS2PTGDR2GAAMAPT
SCHEMBL10180872 0.89 HSD11B1 (0.54) HSD11B1PTGS2PTGDR2MAPTALDH1A1
SCHEMBL10179449 0.87 HSD11B1 (0.52) HSD11B1PTGS2PTGDR2ALDH1A1FFAR2
SCHEMBL16947752 0.84 PTGES2 (0.49) HSD11B1PTGS2PTGDR2MAPTPTGES2
SCHEMBL10180103 0.84 PTGS2 (0.55) HSD11B1PTGS2PTGDR2MAPTALDH1A1
Hydrochloric Acid SCHEMBL7254235 0.82 PTGES2 (0.48) HSD11B1PTGS2PTGDR2MAPTPTGES2
SCHEMBL9727253 0.82 PTGS2 (0.46) HSD11B1PTGS2PTGDR2MAPTALDH1A1
SCHEMBL1046363 0.82 PTGES2 (0.51) HSD11B1PTGS2PTGDR2MAPTPTGES2
SCHEMBL4279326 0.82 PTGS2 (0.46) HSD11B1PTGS2PTGDR2MAPTALDH1A1
SCHEMBL10192344 0.82 PTGS2 (0.58) HSD11B1PTGS2PTGDR2ALDH1A1PTPN1

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
CN-104112870-A Nonaqueous electrolyte solution and nonaqueous electrolyte battery using same MITSUBISHI CHEM CORP 2014-10-22 CN disclosed
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
CN-102484281-A Nonaqueous electrolyte solution and nonaqueous electrolyte battery using same MITSUBISHI CHEM CORP 2012-05-30 CN disclosed