SCHEMBL5486601

SCHEMBL5486601

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

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA2 P00918 3/20 0.38
CA1 P00915 2/20 0.38
CTSK P43235 4/20 0.35
MAPK1 P28482 1/20 0.34
PRKCA P17252 1/20 0.33
PRKCD Q05655 1/20 0.33
TSHR P16473 2/20 0.32
CYP3A4 P08684 1/20 0.32
ATM Q13315 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
CTSL P07711 1/20 0.30
CTSB P07858 1/20 0.30
ZDHHC7 Q9NXF8 1/20 0.30
ENPP2 Q13822 4/20 0.30
ABCB1 P08183 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
SCHEMBL5479544 0.89 CTSK (0.35) CA2CA1CTSKMAPK1PRKCA
SCHEMBL5476432 0.86
SCHEMBL6370566 0.78 CA2 (0.41) CA2CA1CTSKMAPK1
SCHEMBL5478952 0.77 CA2 (0.43) CA2CA1CTSKMAPK1PRKCA
SCHEMBL5478961 0.75 CA2 (0.45) CA2CA1MAPK1PRKCAPRKCD
SCHEMBL5484190 0.72 FAAH (0.38) ZDHHC7ABCB1
SCHEMBL609476 0.72 CA2 (0.42) CA2CA1CTSKMAPK1CTSL
SCHEMBL1769445 0.71 CA2 (0.45) CA2CA1CTSKMAPK1TSHR
SCHEMBL5486612 0.71 ZDHHC7 (0.41) CA2CA1ZDHHC7ENPP2
SCHEMBL608475 0.70 PRKCA (0.50) CA2CA1CTSKMAPK1PRKCA

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