SCHEMBL5412466

SCHEMBL5412466

C=CCS(=O)(=O)c1ccccc1CC

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.47
KDM4E B2RXH2 1/20 0.47
CTSB P07858 1/20 0.45
MAPT P10636 3/20 0.41
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
LMNA P02545 1/20 0.41
HTT P42858 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
HSD11B1 P28845 1/20 0.38
LOXL2 Q9Y4K0 2/20 0.37
PSIP1 O75475 1/20 0.36
TAAR1 Q96RJ0 1/20 0.36
POLB P06746 1/20 0.35
GABRA1 P14867 2/20 0.33
GABRB2 P47870 2/20 0.33
PLCG1 P19174 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
SCHEMBL10180094 0.88 ALDH1A1 (0.44) ALDH1A1KDM4ECTSBMAPTKMT2A
SCHEMBL5330770 0.85 ALDH1A1 (0.47) ALDH1A1KDM4ECTSBMAPTKMT2A
SCHEMBL10179424 0.85 ALDH1A1 (0.42) ALDH1A1KDM4ECTSBMAPTKMT2A
SCHEMBL27921135 0.84 ALDH1A1 (0.46) ALDH1A1KDM4ECTSBMAPTKMT2A
SCHEMBL10180394 0.83 ALDH1A1 (0.43) ALDH1A1KDM4ECTSBMAPTKMT2A
SCHEMBL28057995 0.81 ALDH1A1 (0.44) ALDH1A1KDM4EMAPTKMT2AMEN1
SCHEMBL10179924 0.80 CTSB (0.53) CTSBMAPTKMT2AHSD11B1LOXL2
SCHEMBL707747 0.79 ALDH1A1 (0.49) ALDH1A1KDM4EMAPTKMT2AMEN1
SCHEMBL4256900 0.78 PLCG1 (0.54) ALDH1A1CTSBMAPTKMT2ALMNA
SCHEMBL10179913 0.77 CTSB (0.47) ALDH1A1CTSBMAPTKMT2AMEN1

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 4 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
WO-2007129169-A2 COX- II INHIBITORS FOR IMPROVING REPRODUCTIVE SUCCESS IN A FEMALE ANIMAL PFIZER LIMITED (GB) 2007-11-15 WO disclosed