SCHEMBL3387292

SCHEMBL3387292

CCCC(COC=O)OC(C)=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSK P43235 2/20 0.38
PRKCA P17252 3/20 0.37
PRKCD Q05655 1/20 0.34
HRH1 P35367 2/20 0.33
MEN1 O00255 1/20 0.33
CYP1A2 P05177 1/20 0.33
KMT2A Q03164 1/20 0.33
LMNA P02545 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TSHR P16473 1/20 0.32
GLS2 Q9UI32 3/20 0.32
TDP1 Q9NUW8 2/20 0.32
CHRM1 P11229 1/20 0.30
AKR1A1 P14550 1/20 0.30
CHRM3 P20309 1/20 0.30
HTR2A P28223 1/20 0.30
HTR2C P28335 1/20 0.30
ADRA1A P35348 1/20 0.30
DRD3 P35462 1/20 0.30
SLC6A3 Q01959 1/20 0.30

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
SCHEMBL3391427 0.89 PRKCA (0.42) CTSKPRKCAPRKCDTSHRGLS2
SCHEMBL2160922 0.85 PRKCA (0.36) CTSKPRKCAHRH1MEN1CYP1A2
SCHEMBL13356385 0.81 PRKCA (0.46) PRKCAHRH1MEN1CYP1A2KMT2A
SCHEMBL4838071 0.80 TSHR (0.43) CTSKPRKCAPRKCDHRH1MEN1
SCHEMBL19608784 0.79 TDP1 (0.44) PRKCAHRH1MEN1CYP1A2KMT2A
SCHEMBL3801260 0.79 PRKCA (0.44) CTSKPRKCAPRKCDHRH1MEN1
SCHEMBL8362220 0.79 PRKCA (0.47) PRKCALMNATSHRTDP1
SCHEMBL8827991 0.77 PRKCA (0.39) CTSKPRKCAPRKCDHRH1MEN1
SCHEMBL21605415 0.76 CTSK (0.35) CTSK
SCHEMBL7301513 0.76 CTSK (0.32) CTSK

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-1729365-B1 NON-AQUEOUS ELECTROLYTE SOLUTION AND LITHIUM SECONDARY BATTERY USING THE SAME UBE INDUSTRIES (JP) 2010-12-22 EP disclosed
US-20080241704-A1 Nonaqueous Electrolyte Solution and Lithium Secondary Battery Using Same UBE INDUSTRIES, LTD (JP) 2008-10-02 US disclosed
EP-1729365-A1 NONAQUEOUS ELECTROLYTE SOLUTION AND LITHIUM SECONDARY BATTERY USING SAME Ube Industries, Ltd. (JP) 2006-12-06 EP disclosed