SCHEMBL21600732

SCHEMBL21600732

NS(=O)(=O)CCNC(=O)CCCC(=O)C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 11/20 0.38
CA2 P00918 11/20 0.38
HSD17B10 Q99714 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
TSHR P16473 2/20 0.37
CA9 Q16790 7/20 0.35
CA12 O43570 5/20 0.35
CA4 P22748 4/20 0.35
CA5A P35218 4/20 0.35
CA7 P43166 4/20 0.35
CA14 Q9ULX7 4/20 0.35
HDAC3 O15379 1/20 0.34
HDAC4 P56524 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC10 Q969S8 1/20 0.34
HDAC11 Q96DB2 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
HDAC9 Q9UKV0 1/20 0.34

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 0.95 FAAH (0.38) CA1CA2HSD17B10L3MBTL1HDAC3
SCHEMBL21600774 0.92 TSHR (0.40) CA1CA2HSD17B10L3MBTL1TSHR
SCHEMBL21600768 0.77 MEN1 (0.37) CA1CA2HSD17B10TSHRCA9
SCHEMBL11499788 0.76 FAAH (0.59) HSD17B10
SCHEMBL21600742 0.74 TSHR (0.47) CA1CA2HSD17B10L3MBTL1TSHR
SCHEMBL21600739 0.74 TSHR (0.38) L3MBTL1TSHRHDAC3HDAC4HDAC1
SCHEMBL21600776 0.72 TSHR (0.41) L3MBTL1TSHRHDAC3HDAC4HDAC1
SCHEMBL7772010 0.71 CA1 (0.50) CA1CA2L3MBTL1CA9CA12
SCHEMBL3657984 0.71 CA1 (0.45) CA1CA2L3MBTL1CA9CA12
SCHEMBL21600771 0.70 FAAH (0.36) TSHRHDAC3HDAC4HDAC1HDAC2

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