SCHEMBL28884875

SCHEMBL28884875

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

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.37
GAA P10253 1/20 0.37
KMT2A Q03164 1/20 0.37
HDAC6 Q9UBN7 2/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36
TPSAB1 Q15661 2/20 0.34
TPSD1 Q9BZJ3 2/20 0.34
TPSG1 Q9NRR2 2/20 0.34
CA14 Q9ULX7 1/20 0.33
TDP1 Q9NUW8 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
SCHEMBL28884876 1.00 MEN1 (0.37) MEN1GAAKMT2AHDAC6HDAC1
SCHEMBL20743469 0.90 MEN1 (0.38) MEN1GAAKMT2AHDAC6HDAC1
SCHEMBL20743467 0.90 MEN1 (0.38) MEN1GAAKMT2AHDAC6HDAC1
SCHEMBL23610157 0.86 HDAC6 (0.36) MEN1GAAKMT2AHDAC6HDAC1
SCHEMBL16284725 0.86 HDAC1 (0.42) MEN1GAAKMT2AHDAC6HDAC1
SCHEMBL28659211 0.86 HDAC1 (0.42) MEN1GAAKMT2AHDAC6HDAC1
SCHEMBL30039435 0.85 MEN1 (0.35) MEN1GAAKMT2AHDAC6HDAC1
SCHEMBL21685656 0.84 MEN1 (0.38) MEN1GAAKMT2AHDAC6HDAC1
SCHEMBL21685657 0.84 MEN1 (0.38) MEN1GAAKMT2AHDAC6HDAC1
SCHEMBL3626322 0.84 CYP1A2 (0.38) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119431317-A Cyanuric chloride trisubstituted amine derivative as antiviral, preparation method and application thereof 中国科学院上海药物研究所 2025-02-14 CN disclosed
CN-107253968-B Universal and stereospecific synthesis of gamma, delta-unsaturated amino acids by Wittig reaction 国家科学研究中心 2020-03-13 CN disclosed