SCHEMBL13423780

SCHEMBL13423780

COC(C=O)CN(C)C(=O)OC(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CTSK P43235 6/20 0.36
HDAC6 Q9UBN7 2/20 0.33
HDAC1 Q13547 1/20 0.31
HDAC2 Q92769 1/20 0.31
CACNA1G O43497 1/20 0.31
CACNA1B Q00975 1/20 0.31
CACNA1C Q13936 1/20 0.31
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA14 Q9ULX7 1/20 0.31

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
SCHEMBL15565348 0.81 CTSK (0.38) CTSKHDAC6HDAC1HDAC2CACNA1G
SCHEMBL30030533 0.79 HDAC6 (0.34) CTSKHDAC6HDAC1HDAC2CACNA1G
SCHEMBL27776766 0.77 HDAC6 (0.33) CTSKHDAC6HDAC1HDAC2CACNA1G
SCHEMBL16751219 0.77 HDAC6 (0.33) CTSKHDAC6HDAC1HDAC2CACNA1G
SCHEMBL16751229 0.77 HDAC6 (0.33) CTSKHDAC6HDAC1HDAC2CACNA1G
SCHEMBL31757873 0.75 MEN1 (0.33) HDAC6HDAC1HDAC2CA12CA1
SCHEMBL1447140 0.74 HDAC6 (0.36) CTSKHDAC6HDAC1HDAC2CACNA1G
SCHEMBL13490197 0.74 HDAC6 (0.36) CTSKHDAC6HDAC1HDAC2CACNA1G
SCHEMBL3157411 0.73 HDAC1 (0.31) HDAC6HDAC1HDAC2CA12CA1
SCHEMBL31757748 0.73 CA14 (0.33) CTSKHDAC6HDAC1HDAC2CA12

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
WO-2010042851-A1 ANTIBACTERIAL AMINOGLYCOSIDE ANALOGS ACHAOGEN, INC. (US) 2010-04-15 WO disclosed