SCHEMBL28972743

SCHEMBL28972743

COC(CCC(=O)OC(C)(C)C)C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.38
GAA P10253 1/20 0.38
KMT2A Q03164 1/20 0.38
SLC1A1 P43005 1/20 0.34
HDAC3 O15379 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
APP P05067 1/20 0.34
STING1 Q86WV6 1/20 0.33
CYP2D6 P10635 1/20 0.32
DGAT1 O75907 1/20 0.31
MTNR1A P48039 1/20 0.31
MTNR1B P49286 1/20 0.31
FOLH1 Q04609 4/20 0.30
CA12 O43570 2/20 0.30
CA2 P00918 2/20 0.30
CA14 Q9ULX7 2/20 0.30
CA1 P00915 1/20 0.30

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
SCHEMBL23363788 0.80 MEN1 (0.42) MEN1GAAKMT2ASLC1A1HDAC3
SCHEMBL21848005 0.80 ALDH1A1 (0.41) MEN1KMT2ASLC1A1FOLH1
Hydrochloric Acid SCHEMBL2124738 0.78 SLC1A1 (0.50) KMT2ASLC1A1
Hydrochloric Acid SCHEMBL27912753 0.78 SLC1A1 (0.50) KMT2ASLC1A1
SCHEMBL28647135 0.77 CYP2D6 (0.37) MEN1GAAKMT2AHDAC3HDAC1
SCHEMBL28632387 0.77 CYP2D6 (0.37) MEN1GAAKMT2AHDAC3HDAC1
SCHEMBL13765204 0.77 TET2 (0.50) MEN1GAAKMT2ASLC1A1HDAC3
SCHEMBL25406495 0.77 TET2 (0.50) MEN1GAAKMT2ASLC1A1HDAC3
SCHEMBL12171658 0.77 CYP1A2 (0.54) MEN1GAAKMT2AHDAC3HDAC1
SCHEMBL29003087 0.77 TET2 (0.50) MEN1GAAKMT2ASLC1A1HDAC3

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 claimed
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