SCHEMBL4452698

SCHEMBL4452698

CC(C)C(=O)OCCOC(=O)CCCCC(C)(C)C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGKA P23743 1/20 0.47
MAPT P10636 1/20 0.38
DNM1 Q05193 1/20 0.37
LMNA P02545 4/20 0.33
ADRA2A P08913 1/20 0.33
ADRA1A P35348 1/20 0.33
CNR2 P34972 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP3A4 P08684 1/20 0.33
TSHR P16473 1/20 0.33
ATM Q13315 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
CYP4F2 P78329 1/20 0.33
CYP4A11 Q02928 1/20 0.33
PRSS1 P07477 1/20 0.33
PRSS2 P07478 1/20 0.33
PRSS3 P35030 1/20 0.33
KDM4E B2RXH2 1/20 0.33
DUSP3 P51452 1/20 0.33
MEN1 O00255 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
SCHEMBL11758830 0.87 DGKA (0.38) DGKAMAPTDNM1ADRA2AADRA1A
SCHEMBL16944249 0.83 DGKA (0.50) DGKAMAPTDNM1LMNAADRA2A
SCHEMBL9768854 0.83 NAAA (0.32) ALDH1A1CYP3A4TSHRCYP4F2CYP4A11
SCHEMBL29263277 0.82 NAAA (0.35) ALDH1A1CYP3A4TSHRTDP1CYP4F2
SCHEMBL17581533 0.81 DGKA (0.46) DGKAMAPTDNM1LMNACNR2
SCHEMBL14296145 0.81 ALDH1A1 (0.32) ALDH1A1ATM
SCHEMBL10667914 0.80 DGKA (0.47) DGKAMAPTDNM1LMNAADRA2A
SCHEMBL11507256 0.80 MAPT (0.46) DGKAMAPTDNM1LMNAADRA2A
SCHEMBL17581570 0.80 DGKA (0.44) DGKAMAPTDNM1LMNACNR2
SCHEMBL17581531 0.79 DGKA (0.43) DGKAMAPTDNM1CNR2ALDH1A1

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