SCHEMBL8069685

SCHEMBL8069685

CC(C)(C)OC(=O)NCCCC[C@H](NC(=O)OCc1ccccc1)c1ncc[nH]1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.63
L3MBTL1 Q9Y468 1/20 0.53
MEN1 O00255 5/20 0.52
KMT2A Q03164 5/20 0.52
RECQL P46063 1/20 0.52
POLB P06746 2/20 0.51
MAPK1 P28482 1/20 0.51
NPSR1 Q6W5P4 5/20 0.50
TDP1 Q9NUW8 2/20 0.50
PAX8 Q06710 1/20 0.50
SYK P43405 1/20 0.50
KLK7 P49862 1/20 0.49
KLK5 Q9Y337 1/20 0.49
HDAC3 O15379 3/20 0.49
HDAC4 P56524 3/20 0.49
HDAC1 Q13547 3/20 0.49
HDAC7 Q8WUI4 3/20 0.49
HDAC2 Q92769 3/20 0.49
HDAC10 Q969S8 3/20 0.49
HDAC11 Q96DB2 3/20 0.49

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
SCHEMBL17183193 0.88 MAPT (0.50) MAPTL3MBTL1MEN1KMT2ARECQL
SCHEMBL15707033 0.88 MAPT (0.50) MAPTL3MBTL1MEN1KMT2ARECQL
SCHEMBL4049521 0.85 TDP1 (0.48) MAPTMEN1KMT2APOLBNPSR1
SCHEMBL8590595 0.85 MAPT (0.51) MAPTL3MBTL1MEN1KMT2ARECQL
SCHEMBL7418294 0.81 FPR2 (0.53) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL2467817 0.80 FOLH1 (0.65) MAPTSYKKLK7KLK5FOLH1
SCHEMBL1491720 0.80 FOLH1 (0.65) MAPTSYKKLK7KLK5FOLH1
SCHEMBL699636 0.80 FOLH1 (0.65) MAPTSYKKLK7KLK5FOLH1
SCHEMBL8117254 0.80 HDAC3 (0.67) MAPTKLK7KLK5HDAC3HDAC4
SCHEMBL5363018 0.80 MAPT (0.60) MAPTL3MBTL1MEN1KMT2ARECQL

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