SCHEMBL4442929

SCHEMBL4442929

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

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA2 P00918 7/20 0.53
CA1 P00915 4/20 0.53
MAPK1 P28482 1/20 0.44
ATM Q13315 2/20 0.44
CYP3A4 P08684 1/20 0.44
TSHR P16473 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
GAA P10253 1/20 0.39
XBP1 P17861 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
P2RY10 O00398 1/20 0.37
GPR34 Q9UPC5 1/20 0.37
DGKA P23743 1/20 0.36
MAPT P10636 1/20 0.35
ALDH1A1 P00352 2/20 0.34
LMNA P02545 1/20 0.34
KDM4E B2RXH2 1/20 0.33
DUSP3 P51452 1/20 0.33

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
SCHEMBL296220 0.90 CA2 (0.63) CA2CA1MAPK1ATMCYP3A4
SCHEMBL14640944 0.90 CA2 (0.63) CA2CA1MAPK1ATMCYP3A4
SCHEMBL9360370 0.88 CA2 (0.47) CA2CA1MAPK1ATMCYP3A4
SCHEMBL15196275 0.83 CA2 (0.54) CA2CA1MAPK1ATMCYP3A4
SCHEMBL247218 0.82 CA2 (0.58) CA2CA1MAPK1ATMCYP3A4
SCHEMBL15062355 0.81 CA2 (0.50) CA2CA1MAPK1ATMCYP3A4
SCHEMBL4445495 0.81 CA2 (0.53) CA2CA1MAPK1ATMCYP3A4
SCHEMBL4452768 0.81 CA2 (0.53) CA2CA1MAPK1ATMCYP3A4
SCHEMBL5675550 0.81 CYP3A4 (0.59) CA2CA1ATMCYP3A4TSHR
SCHEMBL8921697 0.81 ALDH1A1 (0.50) TSHRP2RY10GPR34DGKAMAPT

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 4 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 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