SCHEMBL21600768

SCHEMBL21600768

NS(=O)(=O)CNC(=O)CCCCCC(=O)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
FAAH O00519 3/20 0.36
CA1 P00915 5/20 0.35
CA2 P00918 5/20 0.35
HDAC6 Q9UBN7 2/20 0.35
HDAC3 O15379 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
HDAC5 Q9UQL6 1/20 0.34
HAO1 Q9UJM8 1/20 0.34
STS P08842 3/20 0.34
CA12 O43570 2/20 0.33
CA4 P22748 2/20 0.33
CA5A P35218 2/20 0.33
CA7 P43166 2/20 0.33
CA9 Q16790 2/20 0.33
CA14 Q9ULX7 2/20 0.33
CA3 P07451 1/20 0.33

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
SCHEMBL21600763 0.83 FAAH (0.38) MEN1KMT2AFAAHCA1CA2
SCHEMBL21600762 0.81 RECQL (0.41) MEN1KMT2AFAAHCA1CA2
SCHEMBL21600732 0.77 CA1 (0.38) CA1CA2HDAC6HDAC3HDAC1
SCHEMBL21600774 0.76 TSHR (0.40) CA1CA2CA12CA4CA5A
SCHEMBL16490058 0.71 CTSD (0.48) FAAHCA1CA2HDAC6HDAC3
SCHEMBL10962384 0.71 OR51E2 (0.56) MEN1KMT2AHDAC6HDAC3HDAC1
SCHEMBL10960960 0.71 OR51E2 (0.56) MEN1KMT2AHDAC6HDAC3HDAC1
SCHEMBL10961559 0.71 OR51E2 (0.56) MEN1KMT2AHDAC6HDAC3HDAC1
SCHEMBL10964715 0.71 OR51E2 (0.56) MEN1KMT2AHDAC6HDAC3HDAC1
SCHEMBL10958653 0.71 OR51E2 (0.56) MEN1KMT2AHDAC6HDAC3HDAC1

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-2019241851-A1 INHIBITORS OF LYSINE BIOSYNTHESIS VIA THE DIAMINOPIMELATE PATHWAY LA TROBE UNIVERSITY (AU) 2019-12-26 WO disclosed