SCHEMBL10180795

SCHEMBL10180795

C=CCS(=O)(=O)c1ccccc1C1CCCC1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.42
KDM4E B2RXH2 1/20 0.42
ATM Q13315 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
PTGS2 P35354 1/20 0.38
MAPT P10636 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
MEN1 O00255 1/20 0.36
LMNA P02545 1/20 0.36
HTT P42858 1/20 0.36
KMT2A Q03164 1/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.36
HSD11B1 P28845 2/20 0.35
PRCP P42785 1/20 0.33
PTGES2 Q9H7Z7 2/20 0.32
PNMT P11086 1/20 0.31
PTPN1 P18031 1/20 0.31

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
SCHEMBL10179863 0.98 ALDH1A1 (0.41) ALDH1A1KDM4EATMTDP1PTGS2
SCHEMBL10179872 0.80 PTGS2 (0.45) ALDH1A1PTGS2MAPTL3MBTL1LMNA
SCHEMBL10181938 0.79 PTGS2 (0.41) ALDH1A1ATMTDP1PTGS2MAPT
SCHEMBL10179841 0.79 PTGS2 (0.48) ALDH1A1KDM4EPTGS2MEN1KMT2A
SCHEMBL10179994 0.78 PTGDR2 (0.40) ATMTDP1PTGS2MAPTMEN1
SCHEMBL10181659 0.78 TSHR (0.50) ALDH1A1KDM4EPTGS2PTGDR2
SCHEMBL10179712 0.78 PTGS2 (0.43) ALDH1A1ATMTDP1PTGS2MAPT
SCHEMBL10179567 0.76 TSHR (0.49) ALDH1A1KDM4EPTGS2LMNAPTGDR2
SCHEMBL10179999 0.76 HSD11B1 (0.48) ALDH1A1PTGS2MAPTL3MBTL1MEN1
SCHEMBL10181236 0.75 HSD11B1 (0.43) PTGS2PTGDR2HSD11B1PNMTPTPN1

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