SCHEMBL4048387

SCHEMBL4048387

CC(C)(C)OC(=O)NCCCCC(NC(=O)OCc1ccccc1)c1nc2cccc(Cl)c2[nH]1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.57
HDAC3 O15379 3/20 0.54
HDAC4 P56524 3/20 0.54
HDAC1 Q13547 3/20 0.54
HDAC7 Q8WUI4 3/20 0.54
HDAC2 Q92769 3/20 0.54
HDAC10 Q969S8 3/20 0.54
HDAC11 Q96DB2 3/20 0.54
HDAC8 Q9BY41 3/20 0.54
HDAC6 Q9UBN7 3/20 0.54
HDAC9 Q9UKV0 3/20 0.54
HDAC5 Q9UQL6 3/20 0.54
SYK P43405 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
POLB P06746 1/20 0.43
MAPK1 P28482 1/20 0.43
AAK1 Q2M2I8 2/20 0.43
KLK7 P49862 1/20 0.43
KLK5 Q9Y337 1/20 0.43
MEN1 O00255 2/20 0.42

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
SCHEMBL8117254 0.84 HDAC3 (0.67) MAPTHDAC3HDAC4HDAC1HDAC7
SCHEMBL8069685 0.79 MAPT (0.63) MAPTHDAC3HDAC4HDAC1HDAC7
SCHEMBL8069944 0.79 HDAC1 (0.57) MAPTHDAC3HDAC4HDAC1HDAC7
SCHEMBL8079292 0.77 HDAC1 (0.53) MAPTHDAC3HDAC4HDAC1HDAC7
SCHEMBL4055523 0.77 BCHE (0.56) MAPTHDAC3HDAC4HDAC1HDAC7
SCHEMBL29644567 0.76 MAPT (0.55) MAPTHDAC3HDAC1HDAC2HDAC10
SCHEMBL29644577 0.75 HDAC1 (0.55) MAPTHDAC3HDAC1HDAC2HDAC8
SCHEMBL8311235 0.75 HDAC1 (0.53) MAPTHDAC3HDAC4HDAC1HDAC7
SCHEMBL5363018 0.75 MAPT (0.60) MAPTHDAC3HDAC4HDAC1HDAC7
SCHEMBL5363015 0.75 MAPT (0.60) MAPTHDAC3HDAC4HDAC1HDAC7

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-2009026701-A1 SIRTUIN INHIBITORS METHYLGENE INC. (CA) 2009-03-05 WO disclosed