SCHEMBL4451776

SCHEMBL4451776

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

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA2 P00918 6/20 0.45
CA1 P00915 4/20 0.45
MAPK1 P28482 2/20 0.38
LMNA P02545 4/20 0.36
ATM Q13315 2/20 0.35
CYP3A4 P08684 1/20 0.35
TSHR P16473 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
GAA P10253 1/20 0.35
XBP1 P17861 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.31
PRKCA P17252 1/20 0.31
PRKCE Q02156 1/20 0.31
PRKCQ Q04759 1/20 0.31
PRKCD Q05655 1/20 0.31

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
SCHEMBL2453130 0.89 CA2 (0.50) CA2CA1MAPK1ATMCYP3A4
SCHEMBL16859709 0.84 CA2 (0.47) CA2CA1MAPK1ATMCYP3A4
SCHEMBL4445941 0.83 LMNA (0.36) LMNAALDH1A1
SCHEMBL21636778 0.83 LMNA (0.37) MAPK1LMNAALDH1A1MAPTPRKCA
SCHEMBL6575865 0.78 LMNA (0.54) MAPK1LMNAALDH1A1MAPTPRKCA
SCHEMBL6536003 0.78 LMNA (0.54) MAPK1LMNAALDH1A1MAPTPRKCA
SCHEMBL2453242 0.77 CA2 (0.53) CA2CA1MAPK1ATMCYP3A4
SCHEMBL4442929 0.77 CA2 (0.53) CA2CA1MAPK1LMNAATM
SCHEMBL9718333 0.76 LMNA (0.39) MAPK1LMNAALDH1A1MAPTPRKCA
SCHEMBL4445942 0.75 ALDH1A1 (0.34) LMNAALDH1A1MAPT

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7612228-B2 Synthetic method of glycol diesters from reaction of glycol monoesters and linear aliphatic carboxylic acids LG CHEM, LTD. (KR) 2009-11-03 US claimed
US-7612228-B2 Synthetic method of glycol diesters from reaction of glycol monoesters and linear aliphatic carboxylic acids LG CHEM, LTD. (KR) 2009-11-03 US disclosed
US-20090023946-A1 SYNTHETIC METHOD OF GLYCOL DIESTERS FROM REACTION OF GLYCOL MONOESTERS AND LINEAR ALIPHATIC CARBOXYLIC ACIDS LG CHEM. LTD. (KR) 2009-01-22 US disclosed
US-7453008-B2 Synthetic method of glycol diesters from reaction of glycol monoesters and linear aliphatic carboxylic acids LG CHEM LTD. (KR) 2008-11-18 US disclosed
US-20070049764-A1 Synthetic method of glycol diesters from reaction of glycol monoesters and linear aliphatic carboxylic acids LG CHEM. LTD. (KR) 2007-03-01 US disclosed