SCHEMBL28972736

SCHEMBL28972736

CCOC(=O)CCC(OCC)C(=O)OCC

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.51
KMT2A Q03164 2/20 0.49
POLB P06746 2/20 0.49
CYP1A2 P05177 1/20 0.44
GAA P10253 2/20 0.43
MGAM O43451 1/20 0.43
SI P14410 1/20 0.43
MGAM2 Q2M2H8 1/20 0.43
ALDH1A1 P00352 7/20 0.40
TRPA1 O75762 1/20 0.40
CYP4F2 P78329 2/20 0.37
CYP4A11 Q02928 2/20 0.37
HSD17B10 Q99714 3/20 0.36
KDM4E B2RXH2 1/20 0.36
HPGD P15428 1/20 0.36
NR1I2 O75469 1/20 0.36
PGR P06401 1/20 0.36
ADORA3 P0DMS8 1/20 0.36
PTGS2 P35354 1/20 0.36
PDE4D Q08499 1/20 0.36

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
SCHEMBL27748153 0.89 L3MBTL1 (0.49) L3MBTL1KMT2APOLBCYP1A2GAA
SCHEMBL15153944 0.86 L3MBTL1 (0.46) L3MBTL1KMT2APOLBCYP1A2GAA
SCHEMBL28972732 0.84 L3MBTL1 (0.51) L3MBTL1KMT2APOLBCYP1A2GAA
Succinic Acid Diethyl Ester SCHEMBL10467318 0.82 ALDH1A1 (0.42) L3MBTL1KMT2APOLBCYP1A2GAA
SCHEMBL5199985 0.81 ALDH1A1 (0.40) L3MBTL1KMT2APOLBGAAMGAM
SCHEMBL28091198 0.81 ALDH1A1 (0.40) L3MBTL1KMT2APOLBGAAMGAM
SCHEMBL27769420 0.80 DGKA (0.46) KMT2APOLBALDH1A1HPGDTSHR
SCHEMBL4984393 0.79 MGAM (0.46) L3MBTL1KMT2APOLBCYP1A2GAA
SCHEMBL8434526 0.79 L3MBTL1 (0.50) L3MBTL1KMT2APOLBCYP1A2GAA
SCHEMBL21891763 0.78 L3MBTL1 (0.46) L3MBTL1KMT2APOLBCYP1A2GAA

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
CN-115677491-A Preparation process of ethyl 4- (ethoxycarbonyl) methoxybutyrate 武汉市振邦生物科技有限公司 2023-02-03 CN disclosed
CN-115677491-A Preparation process of ethyl 4- (ethoxycarbonyl) methoxybutyrate 武汉市振邦生物科技有限公司 2023-02-03 CN disclosed