SCHEMBL7945865

SCHEMBL7945865

COC(=O)C(C)(C)NC(=O)c1coc(CNC(=O)OC(C)(C)C)n1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 8/20 0.42
KDM4A O75164 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
KLKB1 P03952 1/20 0.35
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35
HRH3 Q9Y5N1 1/20 0.34
KDM4E B2RXH2 1/20 0.34
LMNA P02545 1/20 0.34
NAMPT P43490 1/20 0.34
C3AR1 Q16581 1/20 0.34
HTT P42858 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
SCHEMBL19872891 0.89 KDM4A (0.34) CNR2KDM4AL3MBTL1KLKB1HRH3
SCHEMBL7948567 0.89 KDM4A (0.34) CNR2KDM4AL3MBTL1KLKB1HRH3
SCHEMBL10315062 0.85 KDM4A (0.39) CNR2KDM4AL3MBTL1KDM4ELMNA
SCHEMBL18078935 0.83 KDM4E (0.40) KDM4AL3MBTL1KLKB1CA12CA2
SCHEMBL3583656 0.83 KDM4A (0.40) KDM4AL3MBTL1HRH3KDM4ELMNA
SCHEMBL21129147 0.82 HDAC1 (0.39) KDM4AL3MBTL1KLKB1KDM4ELMNA
SCHEMBL3586130 0.81 KDM4A (0.40) KDM4AL3MBTL1KDM4ELMNANAMPT
SCHEMBL9978510 0.77 HDAC3 (0.51) CNR2CA12CA1CA2CA9
SCHEMBL6468245 0.76 KDM4A (0.42) KDM4AL3MBTL1CA12CA1CA2
SCHEMBL3798888 0.74 KDM4A (0.40) KDM4AL3MBTL1CA12CA1CA2

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-2010009334-A1 METHOD FOR PREPARING LARGAZOLE ANALOGS AND USES THEREOF COLORADO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2010-01-21 WO disclosed