SCHEMBL5480801

SCHEMBL5480801

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

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CA2 P00918 4/20 0.35
CA1 P00915 4/20 0.35
LMNA P02545 3/20 0.35
TRPV1 Q8NER1 1/20 0.35
MAPK1 P28482 1/20 0.34
CTSK P43235 4/20 0.34
FAAH O00519 2/20 0.33
SLC15A1 P46059 1/20 0.33
TP53 P04637 1/20 0.32
CNR1 P21554 1/20 0.32
CNR2 P34972 1/20 0.32

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
SCHEMBL1470236 0.78 LMNA (0.39) LMNATRPV1
SCHEMBL609475 0.76 CTSK (0.41) CA2CA1LMNATRPV1MAPK1
SCHEMBL14991281 0.76 CA2 (0.39) CA2CA1LMNATRPV1MAPK1
SCHEMBL9059767 0.76 TSHR (0.45) CA1LMNATRPV1FAAHCNR1
SCHEMBL4326586 0.74 TDP1 (0.39) LMNA
SCHEMBL6545145 0.74 LMNA (0.42) CA2CA1LMNAMAPK1TP53
SCHEMBL23525632 0.73 LMNA (0.46) CA2CA1LMNACTSKTP53
SCHEMBL8717717 0.73 CA2 (0.41) CA2CA1LMNAMAPK1CTSK
SCHEMBL6370566 0.73 CA2 (0.41) CA2CA1LMNAMAPK1CTSK
SCHEMBL29190485 0.73 FAAH (0.44) CA1LMNAFAAHTP53CNR1

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