SCHEMBL29013209

SCHEMBL29013209

CC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)C(CC(O)CCF)C(=O)O

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.33
GAA P10253 1/20 0.33
KMT2A Q03164 1/20 0.33
HDAC1 Q13547 1/20 0.32
HDAC2 Q92769 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32

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
SCHEMBL29013212 0.88 CA12 (0.34) MEN1GAAKMT2AHDAC1HDAC2
SCHEMBL29013229 0.82 HDAC1 (0.32) HDAC1HDAC2HDAC6
SCHEMBL29013213 0.81 CTSK (0.42)
SCHEMBL29013205 0.81 MEN1 (0.33) MEN1GAAKMT2AHDAC1HDAC2
SCHEMBL29013236 0.78 MEN1 (0.42) MEN1GAAKMT2A
SCHEMBL1763982 0.76 MEN1 (0.35) MEN1GAAKMT2AHDAC1HDAC2
SCHEMBL29273128 0.76 MEN1 (0.32) MEN1GAAKMT2AHDAC1HDAC2
SCHEMBL16284725 0.76 HDAC1 (0.42) MEN1GAAKMT2AHDAC1HDAC2
SCHEMBL28659211 0.76 HDAC1 (0.42) MEN1GAAKMT2AHDAC1HDAC2
SCHEMBL28884876 0.76 MEN1 (0.37) MEN1GAAKMT2AHDAC1HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115850120-A Preparation method of alcohol alpha-carbon hydrogen bond alkylated compound 浙江工业大学 2023-03-28 CN disclosed