SCHEMBL10180745

SCHEMBL10180745

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

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.44
GABRB2 P47870 1/20 0.44
PSIP1 O75475 1/20 0.42
CTSB P07858 1/20 0.39
ATM Q13315 1/20 0.36
ELANE P08246 1/20 0.36
CTSG P08311 1/20 0.36
SLC6A2 P23975 1/20 0.35
CA2 P00918 2/20 0.35
RORC P51449 1/20 0.35
LOXL2 Q9Y4K0 1/20 0.35
DDR1 Q08345 2/20 0.34
PLCG1 P19174 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
SCHEMBL27876505 0.84 GABRA1 (0.47) GABRA1GABRB2CTSBATMELANE
SCHEMBL10180071 0.82 SLC6A2 (0.49) GABRA1GABRB2CTSBATMELANE
SCHEMBL10181390 0.82 GABRA1 (0.39) GABRA1GABRB2ATMELANECTSG
SCHEMBL10180701 0.82 TSHR (0.50) ELANECA2LOXL2
SCHEMBL10179924 0.81 CTSB (0.53) GABRA1GABRB2PSIP1CTSBLOXL2
SCHEMBL10180394 0.81 ALDH1A1 (0.43) GABRA1GABRB2CTSBATMELANE
SCHEMBL24879280 0.81 GABRA1 (0.44) GABRA1GABRB2CTSBATMELANE
SCHEMBL4657831 0.81 GABRA1 (0.48) GABRA1GABRB2CTSBATMELANE
SCHEMBL674104 0.81 CA2 (0.45) GABRA1GABRB2ATMCA2
Hydrochloric Acid SCHEMBL14638222 0.79 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