SCHEMBL9537778

SCHEMBL9537778

CC(C)CCN(C=O)C(=O)OC(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CTSK P43235 5/20 0.34
HDAC6 Q9UBN7 2/20 0.33
MEN1 O00255 1/20 0.33
GAA P10253 1/20 0.33
KMT2A Q03164 1/20 0.33
ALDH1A1 P00352 1/20 0.32
CA14 Q9ULX7 2/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC2 Q92769 1/20 0.32
CA1 P00915 2/20 0.32
CA2 P00918 2/20 0.32
CA12 O43570 1/20 0.32
CA7 P43166 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
SCHEMBL9535948 0.86 HDAC6 (0.37) CTSKHDAC6CA14HDAC1HDAC2
SCHEMBL21025722 0.80 ALDH1A1 (0.38) CTSKHDAC6MEN1GAAKMT2A
SCHEMBL12039797 0.78 CA14 (0.45) CTSKHDAC6MEN1GAAKMT2A
SCHEMBL22154645 0.77 CA14 (0.36) CTSKHDAC6CA14HDAC1HDAC2
SCHEMBL16941095 0.77 CTSK (0.39) CTSKHDAC6MEN1GAAKMT2A
SCHEMBL9535145 0.76 HDAC6 (0.35) CTSKHDAC6CA14HDAC1HDAC2
SCHEMBL1193477 0.76 HDAC6 (0.35) CTSKHDAC6CA14HDAC1HDAC2
SCHEMBL2836031 0.76 HDAC6 (0.38) CTSKHDAC6CA14HDAC1HDAC2
SCHEMBL24569367 0.76 HDAC6 (0.31) HDAC6
SCHEMBL24569698 0.76 HDAC6 (0.31) HDAC6

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
EP-0532693-A1 1,4-DIAMINO-2,3-DIHYDROXYBUTANES THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1993-03-24 EP disclosed