SCHEMBL29259652

SCHEMBL29259652

CC(C)(C)OC(=O)CC(CO)[C@@H](N)C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.36
HDAC3 O15379 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
USP2 O75604 1/20 0.35
SLCO1B1 Q9Y6L6 1/20 0.35
SLC1A3 P43003 3/20 0.33
SLC1A2 P43004 3/20 0.33
SLC1A1 P43005 3/20 0.33
SLC7A5 Q01650 2/20 0.33
MEN1 O00255 1/20 0.33
GAA P10253 1/20 0.33
KMT2A Q03164 1/20 0.33
GRIK1 P39086 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
PTGS1 P23219 1/20 0.31
NOS1 P29475 2/20 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
SCHEMBL27909455 0.86 CYP2D6 (0.36) CYP2D6HDAC3HDAC1HDAC2HDAC8
SCHEMBL13516847 0.80 CYP2D6 (0.39) CYP2D6HDAC3HDAC1HDAC2HDAC8
SCHEMBL27419703 0.79 CYP2D6 (0.41) CYP2D6HDAC3HDAC1HDAC2HDAC8
SCHEMBL333966 0.79 CYP2D6 (0.41) CYP2D6HDAC3HDAC1HDAC2HDAC8
SCHEMBL11402093 0.79 CYP2D6 (0.49) CYP2D6HDAC3HDAC1HDAC2HDAC8
SCHEMBL4297866 0.79 CYP2D6 (0.49) CYP2D6HDAC3HDAC1HDAC2HDAC8
SCHEMBL4706239 0.79 CYP2D6 (0.41) CYP2D6HDAC3HDAC1HDAC2HDAC8
SCHEMBL27962069 0.79 CYP2D6 (0.49) CYP2D6HDAC3HDAC1HDAC2HDAC8
SCHEMBL25296495 0.78 CYP2D6 (0.47) CYP2D6HDAC3HDAC1HDAC2HDAC8
SCHEMBL25296496 0.78 CYP2D6 (0.47) CYP2D6HDAC3HDAC1HDAC2HDAC8

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-118255695-B Purification method and preparation method of intermediate of beta-lactam compound 广州艾奇西医药科技有限公司 2025-03-14 CN disclosed
CN-118255695-A Purification method and preparation method of intermediate of beta-lactam compound 广州艾奇西新药研究有限公司 2024-06-28 CN disclosed