SCHEMBL11515804

SCHEMBL11515804

CCCCCC(C)(C)OOC(=O)OCCCCC(COC(=O)OOC(C)(C)CCCCC)OC(=O)OOC(C)(C)CCCCC

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 2/20 0.35
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
AKT1 P31749 3/20 0.32
NAAA Q02083 1/20 0.32
PRKCA P17252 3/20 0.32
PRKCE Q02156 1/20 0.32
PRKCQ Q04759 1/20 0.32
PRKCD Q05655 1/20 0.32
PLA2G2C Q5R387 1/20 0.31
AKT2 P31751 2/20 0.31
AKT3 Q9Y243 2/20 0.31
EPHX1 P07099 1/20 0.31
PIK3R1 P27986 1/20 0.30
PIK3CA P42336 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
SCHEMBL11516886 0.88 ALDH1A1 (0.42) ALDH1A1LMNAPRKCAPRKCEPRKCQ
SCHEMBL11514255 0.84 NAAA (0.43) HCAR2ALDH1A1LMNANAAAEPHX1
SCHEMBL11515808 0.84
SCHEMBL6863896 0.83 PRKCA (0.31) PRKCA
SCHEMBL9625943 0.83 NAAA (0.46) HCAR2ALDH1A1LMNANAAAEPHX1
SCHEMBL11516902 0.83 NAAA (0.46) HCAR2ALDH1A1LMNANAAAEPHX1
SCHEMBL11516930 0.83 NAAA (0.46) HCAR2ALDH1A1LMNANAAAEPHX1
SCHEMBL11516943 0.83 NAAA (0.46) HCAR2ALDH1A1LMNANAAAEPHX1
SCHEMBL9625366 0.80 DGKA (0.40) HCAR2ALDH1A1NAAAEPHX1
SCHEMBL11516466 0.79 MAPT (0.33) ALDH1A1LMNAPRKCAPRKCEPRKCQ

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
US-4136105-A POLYMERIZATION CATALYSTS, CURING AGENTS, FOR UNSATURATED POLYESTERS PENNWALT CORPORATION (US) 1979-01-23 US disclosed