SCHEMBL29013221

SCHEMBL29013221

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

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ HDAC6 Q9UBN7 2/20 0.33
▸ HDAC1 Q13547 1/20 0.33
▸ HDAC2 Q92769 1/20 0.33
▸ TPSAB1 Q15661 2/20 0.30
▸ TPSD1 Q9BZJ3 2/20 0.30
▸ TPSG1 Q9NRR2 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
SCHEMBL18248156 0.84 MMP13 (0.38) MEN1GAAKMT2AHDAC6HDAC1
SCHEMBL20586574 0.84 MMP13 (0.38) MEN1GAAKMT2AHDAC6HDAC1
SCHEMBL30039435 0.81 MEN1 (0.35) MEN1GAAKMT2AHDAC6HDAC1
SCHEMBL28456427 0.80 MEN1 (0.34) MEN1GAAKMT2AHDAC6HDAC1
SCHEMBL28105502 0.80 MEN1 (0.34) MEN1GAAKMT2AHDAC6HDAC1
SCHEMBL28265666 0.80 MEN1 (0.34) MEN1GAAKMT2AHDAC6HDAC1
SCHEMBL15454789 0.79 MEN1 (0.33) MEN1GAAKMT2AHDAC6HDAC1
SCHEMBL28884876 0.79 MEN1 (0.37) MEN1GAAKMT2AHDAC6HDAC1
SCHEMBL28884875 0.79 MEN1 (0.37) MEN1GAAKMT2AHDAC6HDAC1
SCHEMBL16284725 0.79 HDAC1 (0.42) MEN1GAAKMT2AHDAC6HDAC1

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
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