Acetyltriethyl Citrate

Acetyltriethyl Citrate

SCHEMBL8530841

CCOC(=O)CC(CC(=O)OCC)(OC(C)=O)C(=O)OCC.OO

nearest known ligand 0.41

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.41
LMNA P02545 1/20 0.41
HSD17B10 Q99714 1/20 0.41
GAA P10253 2/20 0.40
MGAM O43451 1/20 0.40
SI P14410 1/20 0.40
MGAM2 Q2M2H8 1/20 0.40
TRPA1 O75762 1/20 0.38
PKM P14618 2/20 0.37
KDM4E B2RXH2 1/20 0.37
CYP4F2 P78329 2/20 0.36
CYP4A11 Q02928 2/20 0.36
THRB P10828 1/20 0.36
HTT P42858 1/20 0.35
PIN1 Q13526 1/20 0.34
HSD11B1 P28845 1/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
RECQL P46063 1/20 0.33
GSK3A P49840 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
Acetyltriethyl Citrate SCHEMBL42702 0.98 ALDH1A1 (0.43) ALDH1A1LMNAHSD17B10GAAMGAM
Acetyltriethyl Citrate SCHEMBL27950223 0.96 ALDH1A1 (0.41) ALDH1A1LMNAHSD17B10GAAMGAM
SCHEMBL9421244 0.95 ALDH1A1 (0.38) ALDH1A1LMNAHSD17B10GAAMGAM
SCHEMBL15695759 0.93 ALDH1A1 (0.39) ALDH1A1LMNAHSD17B10GAAMGAM
Acetyltriethyl Citrate SCHEMBL15511317 0.90 PKM (0.37) ALDH1A1LMNAHSD17B10GAAMGAM
SCHEMBL4581193 0.88 ALDH1A1 (0.38) ALDH1A1LMNAHSD17B10GAAMGAM
SCHEMBL26727267 0.87 GAA (0.43) ALDH1A1LMNAHSD17B10GAAMGAM
Acetyltriethyl Citrate SCHEMBL10348611 0.87 KDM4E (0.35) ALDH1A1LMNAHSD17B10GAAMGAM
SCHEMBL11758113 0.87 ALDH1A1 (0.43) ALDH1A1LMNAHSD17B10GAAMGAM
SCHEMBL28678358 0.83 GAA (0.41) ALDH1A1LMNAHSD17B10GAAMGAM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1999023197-A1 PROCESSES OF SOAKING FABRICS WITH A LIQUID AQUEOUS PERSULFATE SALT-CONTAINING COMPOSITION THE PROCTER & GAMBLE COMPANY (US) 1999-05-14 WO disclosed
EP-0915150-A1 Processes of soaking fabrics with a liquid aqueous persulfate salt-containing composition THE PROCTER & GAMBLE COMPANY (US) 1999-05-12 EP disclosed