SCHEMBL6526008

SCHEMBL6526008

CN(CC(=O)NO)C(=O)OC(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 3/20 0.34
HDAC1 Q13547 2/20 0.34
HDAC2 Q92769 2/20 0.34
CA14 Q9ULX7 2/20 0.34
DGAT1 O75907 1/20 0.32
MMP13 P45452 2/20 0.32
CTSL P07711 2/20 0.32
CTSB P07858 2/20 0.32
CTSS P25774 2/20 0.32
CTSD P07339 1/20 0.32
MMP1 P03956 1/20 0.32
MMP2 P08253 1/20 0.32
MMP9 P14780 1/20 0.32
MMP8 P22894 1/20 0.32
PRSS1 P07477 1/20 0.31
TPSAB1 Q15661 1/20 0.31
NFKB1 P19838 1/20 0.31
NFKB2 Q00653 1/20 0.31
RELA Q04206 1/20 0.31
HDAC3 O15379 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
SCHEMBL1105464 0.85 HDAC6 (0.34) HDAC6HDAC1HDAC2CA14DGAT1
SCHEMBL23975780 0.83 POLB (0.37) HDAC6HDAC1HDAC2CA14DGAT1
SCHEMBL4162171 0.83 HDAC6 (0.33) HDAC6HDAC1HDAC2CA14DGAT1
SCHEMBL17832808 0.81 CA14 (0.36) HDAC6HDAC1HDAC2CA14DGAT1
SCHEMBL4782518 0.81 DGAT1 (0.34) HDAC6HDAC1HDAC2CA14DGAT1
SCHEMBL2589264 0.79 RECQL (0.46) HDAC6HDAC1HDAC2CA14DGAT1
SCHEMBL12355261 0.79 APLNR (0.34) HDAC6HDAC1HDAC2CA14PRSS1
SCHEMBL7174226 0.79 CA14 (0.34) HDAC6HDAC1HDAC2CA14DGAT1
SCHEMBL7023795 0.78 CA14 (0.39) HDAC6HDAC1HDAC2CA14DGAT1
SCHEMBL256557 0.78 HDAC6 (0.37) HDAC6HDAC1HDAC2CA14DGAT1

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-2005020973-A2 COMPOSITIONS HAVING ANTIMYCROBIAL ACTIVITY INCLUDING A HYDROXAMATE OR A HYDROXAMATE AND A HYDROXYLAMINE THE UNIVERSITY OF HOUSTON SYSTEM (US) 2005-03-10 WO disclosed