SCHEMBL28678358

SCHEMBL28678358

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.41
MGAM O43451 1/20 0.41
SI P14410 1/20 0.41
MGAM2 Q2M2H8 1/20 0.41
ALDH1A1 P00352 3/20 0.39
TRPA1 O75762 1/20 0.39
SOAT1 P35610 1/20 0.37
CYP1A2 P05177 1/20 0.34
PKM P14618 2/20 0.34
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
GSK3A P49840 1/20 0.34
GSK3B P49841 1/20 0.34
CYP4F2 P78329 2/20 0.33
CYP4A11 Q02928 2/20 0.33
THRB P10828 1/20 0.33
LMNA P02545 1/20 0.33
HSD17B10 Q99714 1/20 0.33
HTT P42858 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
SCHEMBL28300031 0.87 GAA (0.40) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL493645 0.85 ALDH1A1 (0.39) GAAMGAMSIMGAM2ALDH1A1
Acetyltriethyl Citrate SCHEMBL42702 0.85 ALDH1A1 (0.43) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL28847553 0.85 ALDH1A1 (0.44) GAAMGAMSIMGAM2ALDH1A1
Acetyltriethyl Citrate SCHEMBL27950223 0.83 ALDH1A1 (0.41) GAAMGAMSIMGAM2ALDH1A1
Acetyltriethyl Citrate SCHEMBL8530841 0.83 ALDH1A1 (0.41) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL27176324 0.82 GAA (0.36) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL2873960 0.82 GAA (0.46) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL9837383 0.81 GAA (0.39) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL2910833 0.81 NAAA (0.40) ALDH1A1CYP1A2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107417819-B Solid catalyst component for olefin polymerization, catalyst and application thereof 北京利和知信科技有限公司 2021-11-16 CN disclosed
CN-108479414-A Hollow fiber polymer membrane, preparation method and application thereof in brine refining 南京工业大学 2018-09-04 CN disclosed
CN-108057346-A High-flux polymer separation membrane, preparation method, diluent composition and application 南京工业大学 2018-05-22 CN disclosed