SCHEMBL4452697

SCHEMBL4452697

CCCC(=O)OCC(C)(C)COC(=O)C(C)C

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.40
MAPT P10636 2/20 0.36
P2RY10 O00398 1/20 0.35
GPR34 Q9UPC5 1/20 0.35
LMNA P02545 6/20 0.33
DGKA P23743 1/20 0.33
POLB P06746 1/20 0.33
CYP3A4 P08684 1/20 0.32
TSHR P16473 1/20 0.32
ATM Q13315 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
SERPINE1 P05121 1/20 0.32
HSD17B10 Q99714 1/20 0.32
ALOX15 P16050 1/20 0.31
KDM4E B2RXH2 1/20 0.31
DUSP3 P51452 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 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
SCHEMBL8921697 0.88 ALDH1A1 (0.50) ALDH1A1MAPTP2RY10GPR34LMNA
SCHEMBL6709823 0.86 ALDH1A1 (0.38) ALDH1A1MAPTLMNADGKAPOLB
SCHEMBL7934757 0.84 ALDH1A1 (0.40) ALDH1A1MAPTLMNAPOLBCYP3A4
SCHEMBL6709819 0.83 ALDH1A1 (0.35) ALDH1A1MAPTLMNADGKAPOLB
SCHEMBL17718078 0.81 ALDH1A1 (0.43) ALDH1A1MAPTP2RY10GPR34LMNA
SCHEMBL30902270 0.81 ALDH1A1 (0.36) ALDH1A1MAPTLMNADGKAPOLB
SCHEMBL18908745 0.80 NAAA (0.32) ALDH1A1MAPTPOLBSERPINE1
SCHEMBL12044661 0.79 LMNA (0.42) ALDH1A1MAPTLMNAPOLBCYP3A4
SCHEMBL4442929 0.78 CA2 (0.53) ALDH1A1MAPTP2RY10GPR34LMNA
SCHEMBL8457640 0.78 ALDH1A1 (0.48) ALDH1A1MAPTLMNADGKACYP3A4

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