SCHEMBL10180071

SCHEMBL10180071

CC(C)Cc1ccccc1S(C)(=O)=O

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.49
GABRA1 P14867 1/20 0.45
GABRB2 P47870 1/20 0.45
MEN1 O00255 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C19 P33261 1/20 0.39
KMT2A Q03164 1/20 0.39
LOX P28300 1/20 0.39
ATM Q13315 1/20 0.36
ELANE P08246 1/20 0.36
CTSG P08311 1/20 0.36
CA2 P00918 2/20 0.36
CTSB P07858 1/20 0.36
BCAT2 O15382 1/20 0.35
DRD2 P14416 1/20 0.35

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
SCHEMBL27876505 0.86 GABRA1 (0.47) SLC6A2GABRA1GABRB2ATMELANE
SCHEMBL10180745 0.82 GABRA1 (0.44) SLC6A2GABRA1GABRB2ATMELANE
SCHEMBL4657831 0.82 GABRA1 (0.48) SLC6A2GABRA1GABRB2CYP1A2ATM
SCHEMBL674104 0.82 CA2 (0.45) GABRA1GABRB2ATMCA2
SCHEMBL24879280 0.82 GABRA1 (0.44) SLC6A2GABRA1GABRB2ATMELANE
SCHEMBL25442802 0.82 GABRA1 (0.44) SLC6A2GABRA1GABRB2MEN1CYP1A2
Potassium Ion SCHEMBL23749101 0.81 GABRA1 (0.42) SLC6A2GABRA1GABRB2ATMELANE
Ammonia Solution, Strong SCHEMBL23749128 0.81 GABRA1 (0.47) SLC6A2GABRA1GABRB2CYP1A2ATM
SCHEMBL11658387 0.81 GABRA1 (0.42) SLC6A2GABRA1GABRB2ATMELANE
Hydrochloric Acid SCHEMBL14638222 0.81 CA2 (0.45) GABRA1GABRB2ATMELANECTSG

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