SCHEMBL4058487

SCHEMBL4058487

CC(C)(C)OC(=O)NCCCCC(NC(=O)O)c1cc(-c2ccc3ccccc3c2)[nH]n1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.43
NPSR1 Q6W5P4 5/20 0.40
TDP1 Q9NUW8 2/20 0.40
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 0.39
SUCNR1 Q9BXA5 4/20 0.39
ALDH1A1 P00352 1/20 0.39
PAX8 Q06710 1/20 0.39
HDAC3 O15379 7/20 0.39
HDAC1 Q13547 4/20 0.39
HDAC2 Q92769 3/20 0.39
KDM4E B2RXH2 1/20 0.39
POLB P06746 1/20 0.39
GAA P10253 1/20 0.39
CTSB P07858 1/20 0.38
CTSS P25774 1/20 0.38
CTSK P43235 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38

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
SCHEMBL4052271 0.84 HDAC3 (0.41) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL4047830 0.77 MAPT (0.47) MAPTNPSR1TDP1MEN1KMT2A
SCHEMBL4052446 0.77 MAPT (0.47) MAPTNPSR1TDP1MEN1KMT2A
SCHEMBL29644567 0.75 MAPT (0.55) MAPTHDAC3HDAC1HDAC2HDAC8
SCHEMBL4049010 0.72 MEN1 (0.46) MAPTNPSR1TDP1MEN1KMT2A
SCHEMBL4055523 0.72 BCHE (0.56) MAPTALDH1A1HDAC3HDAC1HDAC2
SCHEMBL4054617 0.71 GABRB1 (0.46) MAPTNPSR1TDP1MEN1KMT2A
SCHEMBL8074667 0.71 SYK (0.42) MAPTNPSR1TDP1MEN1KMT2A
SCHEMBL31675860 0.71 DRD2 (0.40) MAPTNPSR1TDP1MEN1KMT2A
SCHEMBL22501426 0.71 HDAC3 (0.61) HDAC3HDAC1HDAC2HDAC8HDAC6

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