SCHEMBL10179712

SCHEMBL10179712

C=CS(=O)(=O)c1ccccc1C1CCCCC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.43
PTGDR2 Q9Y5Y4 1/20 0.38
HSD11B1 P28845 1/20 0.36
PTGES2 Q9H7Z7 1/20 0.36
ATM Q13315 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
KMO O15229 1/20 0.35
PTPRC P08575 1/20 0.35
PTPRF P10586 1/20 0.35
PTPN1 P18031 1/20 0.35
CDC25B P30305 1/20 0.35
MAPT P10636 1/20 0.34
ALDH1A1 P00352 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
TSHR P16473 1/20 0.33
CYP2C19 P33261 1/20 0.33
HSP90AA1 P07900 2/20 0.33
MAPK1 P28482 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
SCHEMBL10181938 0.98 PTGS2 (0.41) PTGS2PTGDR2HSD11B1PTGES2ATM
SCHEMBL4279326 0.81 PTGS2 (0.46) PTGS2PTGDR2HSD11B1PTGES2KMO
SCHEMBL10180538 0.80 PTGS2 (0.49) PTGS2PTGDR2HSD11B1PTGES2PTPRC
SCHEMBL11327795 0.80 KMO (0.45) ATMTDP1KMOMAPTALDH1A1
SCHEMBL27618671 0.80 PTGS2 (0.40) PTGS2PTGDR2HSD11B1PTGES2ATM
SCHEMBL10179863 0.80 ALDH1A1 (0.41) PTGS2PTGDR2HSD11B1PTGES2ATM
SCHEMBL27952944 0.79 PTGS2 (0.45) PTGS2PTGDR2HSD11B1PTGES2KMO
SCHEMBL10179999 0.78 HSD11B1 (0.48) PTGS2PTGDR2HSD11B1PTGES2PTPRC
SCHEMBL10180795 0.78 ALDH1A1 (0.42) PTGS2PTGDR2HSD11B1PTGES2ATM
SCHEMBL9727253 0.77 PTGS2 (0.46) PTGS2PTGDR2HSD11B1PTGES2PTPRC

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