SCHEMBL576196

SCHEMBL576196

CCC(SC(CC)c1cccc(F)c1)c1cccc(F)c1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.43
TDO2 P48775 1/20 0.43
AOC3 Q16853 1/20 0.41
HDAC4 P56524 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC5 Q9UQL6 1/20 0.40
ACHE P22303 1/20 0.39
CES2 O00748 1/20 0.39
CES1 P23141 1/20 0.39
SLC6A2 P23975 2/20 0.37
SLC6A4 P31645 2/20 0.37
CNR2 P34972 1/20 0.36
KCNQ2 O43526 1/20 0.36

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
SCHEMBL575951 0.89 AOC3 (0.45) IDO1TDO2AOC3HDAC4HDAC7
SCHEMBL576477 0.78 IDO1 (0.41) IDO1TDO2AOC3HDAC4HDAC7
SCHEMBL10311198 0.78 AOC3 (0.45) IDO1TDO2AOC3HDAC4HDAC7
SCHEMBL22048343 0.78 IDO1 (0.47) IDO1TDO2AOC3HDAC4HDAC7
Hydrochloric Acid SCHEMBL6899213 0.77 IDO1 (0.47) IDO1TDO2AOC3HDAC4HDAC7
Ammonia Solution, Strong SCHEMBL6001307 0.76 IDO1 (0.46) IDO1TDO2AOC3HDAC4HDAC7
SCHEMBL778198 0.76 HDAC4 (0.53) IDO1TDO2AOC3HDAC4HDAC7
SCHEMBL20992899 0.76 HDAC4 (0.53) IDO1TDO2AOC3HDAC4HDAC7
SCHEMBL12671605 0.76 HDAC4 (0.53) IDO1TDO2AOC3HDAC4HDAC7
SCHEMBL16955753 0.76 AOC3 (0.44) IDO1TDO2AOC3HDAC4HDAC7

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
EP-2597717-B1 NONAQUEOUS ELECTROLYTE FOR SECONDARY BATTERY AND NONAQUEOUS-ELECTROLYTE SECONDARY BATTERY EMPLOYING THE SAME MITSUBISHI CHEM CORP (JP) 2018-07-25 EP disclosed
EP-2418723-A1 Nonaqueous electrolyte for secondary battery and nonaqueous-electrolyte secondary battery employing the same Mitsubishi Chemical Corporation (JP) 2012-02-15 EP disclosed
EP-2378602-A2 Nonaqueous electrolyte for recherable battery, and recharchable battery with nonaqueous electrolyte Mitsubishi Chemical Corporation (JP) 2011-10-19 EP disclosed