SCHEMBL10180424

SCHEMBL10180424

C=CS(=O)(=O)c1ccccc1C(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.42
HSD11B1 P28845 1/20 0.41
POLB P06746 1/20 0.39
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
GABRA1 P14867 2/20 0.38
GABRB2 P47870 2/20 0.38
CA12 O43570 1/20 0.38
CA9 Q16790 1/20 0.38
HTR2C P28335 3/20 0.34
TSHR P16473 3/20 0.34
FAAH O00519 2/20 0.34
LMNA P02545 2/20 0.34
CYP3A4 P08684 2/20 0.34
CYP1A2 P05177 1/20 0.34
HPGD P15428 1/20 0.34
GABRB1 P18505 1/20 0.34
GABRG2 P18507 1/20 0.34
PTGS1 P23219 1/20 0.34
SLC6A2 P23975 1/20 0.34

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
SCHEMBL10180174 0.82 TSHR (0.46) L3MBTL1CA12CA9HTR2CTSHR
SCHEMBL10860884 0.79 TSHR (0.43) CA1CA2CA12CA9TSHR
SCHEMBL29353004 0.78 HSD11B1 (0.47) L3MBTL1HSD11B1POLBCA1CA2
SCHEMBL27852913 0.78 HSD11B1 (0.47) L3MBTL1HSD11B1POLBCA1CA2
SCHEMBL29617 0.78 HSD11B1 (0.47) L3MBTL1HSD11B1POLBCA1CA2
SCHEMBL9379437 0.77 HSD11B1 (0.54) L3MBTL1HSD11B1POLBCA1CA2
SCHEMBL10179973 0.77 ALDH1A1 (0.45) L3MBTL1HSD11B1POLBCA1CA2
SCHEMBL11326394 0.77 FABP4 (0.44) POLBGABRA1GABRB2TSHRLMNA
SCHEMBL11326388 0.77 FABP3 (0.41) POLBTSHRLMNAHPGDPTGS1
SCHEMBL1589069 0.76 HSD11B1 (0.46) L3MBTL1HSD11B1POLBCA1CA2

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