SCHEMBL5489530

SCHEMBL5489530

CCCCC(COCC(CC)OCC)OC(=O)O

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PRKCA P17252 1/20 0.38
PRKCD Q05655 1/20 0.38
CA2 P00918 5/20 0.38
CTSK P43235 4/20 0.38
MAPK1 P28482 1/20 0.38
CA1 P00915 3/20 0.35
TSHR P16473 2/20 0.35
CYP3A4 P08684 1/20 0.35
ATM Q13315 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
CTSL P07711 1/20 0.33
CTSB P07858 1/20 0.33
PLA2G2C Q5R387 1/20 0.32
ACHE P22303 1/20 0.32
BACE1 P56817 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
EPHX2 P34913 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL5487674 0.89 PRKCA (0.36) PRKCAPRKCDCA2CTSKMAPK1
SCHEMBL5476609 0.89 PRKCA (0.38) PRKCAPRKCDCA2CTSKMAPK1
SCHEMBL5478952 0.85 CA2 (0.43) PRKCAPRKCDCA2CTSKMAPK1
SCHEMBL608475 0.82 PRKCA (0.50) PRKCAPRKCDCA2CTSKMAPK1
Hydrochloric Acid SCHEMBL11109903 0.81 PRKCA (0.49) PRKCAPRKCDCA2CTSKMAPK1
SCHEMBL5489533 0.79 CA2 (0.41) PRKCAPRKCDCA2CTSKMAPK1
SCHEMBL5479544 0.79 CTSK (0.35) PRKCAPRKCDCA2CTSKMAPK1
SCHEMBL1837070 0.78 CA2 (0.46) PRKCAPRKCDCA2CTSKMAPK1
SCHEMBL5489816 0.78 LPAR1 (0.42) PRKCAPRKCDPLA2G2C
SCHEMBL10826349 0.78 GPR84 (0.44) PRKCAPRKCDMAPK1ALDH1A1LMNA

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1744394-A1 NONAQUEOUS ELECTROLYTE SOLUTION AND LITHIUM SECONDARY BATTERY USING SAME MITSUBISHI CHEMICAL CORPORATION (JP) 2007-01-17 EP disclosed