SCHEMBL5484671

SCHEMBL5484671

CCCCCCCC(COC(=O)OCC(CCCCCCC)OCCOCC)OCCOCC

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.40
LMNA P02545 1/20 0.40
TLR2 O60603 6/20 0.39
LPAR1 Q92633 2/20 0.39
LPAR3 Q9UBY5 2/20 0.39
PLA2G2C Q5R387 1/20 0.39
ZDHHC7 Q9NXF8 1/20 0.38
AKT1 P31749 3/20 0.38
AKT2 P31751 3/20 0.38
AKT3 Q9Y243 3/20 0.38
PRKCA P17252 1/20 0.37
PRKCE Q02156 1/20 0.37
PRKCQ Q04759 1/20 0.37
PRKCD Q05655 1/20 0.37
PIK3R1 P27986 1/20 0.37
PIK3CA P42336 1/20 0.37
TSHR P16473 1/20 0.37

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
SCHEMBL5480812 1.00 ALDH1A1 (0.40) ALDH1A1LMNATLR2LPAR1LPAR3
SCHEMBL5483730 0.91 LPAR1 (0.42) ALDH1A1LMNATLR2LPAR1LPAR3
SCHEMBL5480815 0.90 ALDH1A1 (0.39) ALDH1A1LMNATLR2LPAR1LPAR3
SCHEMBL5484677 0.90 ALDH1A1 (0.39) ALDH1A1LMNATLR2LPAR1LPAR3
SCHEMBL5480823 0.88 NAAA (0.39) ALDH1A1TLR2LPAR1LPAR3PLA2G2C
SCHEMBL11297774 0.87 LPAR1 (0.46) ALDH1A1LMNATLR2LPAR1LPAR3
SCHEMBL5484193 0.86 ZDHHC7 (0.42) ALDH1A1LMNATLR2LPAR1LPAR3
SCHEMBL5480618 0.86 ZDHHC7 (0.42) ALDH1A1LMNATLR2LPAR1LPAR3
SCHEMBL10826352 0.85 ALDH1A1 (0.45) ALDH1A1LMNAZDHHC7PRKCAPRKCE
SCHEMBL7141660 0.85 ALDH1A1 (0.38) ALDH1A1LMNATLR2LPAR1LPAR3

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