SCHEMBL8075112

SCHEMBL8075112

CC(=S)NCCCC[C@H](NC(=O)OCc1ccccc1)c1ncc(-c2ccccc2)[nH]1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SSTR1 P30872 1/20 0.56
HDAC1 Q13547 8/20 0.51
HDAC3 O15379 3/20 0.51
HDAC4 P56524 3/20 0.51
HDAC7 Q8WUI4 3/20 0.51
HDAC2 Q92769 3/20 0.51
HDAC10 Q969S8 3/20 0.51
HDAC11 Q96DB2 3/20 0.51
HDAC8 Q9BY41 3/20 0.51
HDAC6 Q9UBN7 3/20 0.51
HDAC9 Q9UKV0 3/20 0.51
HDAC5 Q9UQL6 3/20 0.51
SIRT2 Q8IXJ6 9/20 0.47
SIRT1 Q96EB6 7/20 0.47
SIRT3 Q9NTG7 5/20 0.47
MAPT P10636 1/20 0.47

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
SCHEMBL8059127 0.88 HDAC3 (0.49) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL8059137 0.86 MAPT (0.47) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL13807191 0.86 SSTR1 (0.62) SSTR1HDAC1HDAC3HDAC4HDAC7
SCHEMBL29644567 0.80 MAPT (0.55) HDAC1HDAC3HDAC2HDAC10HDAC11
SCHEMBL29025531 0.79 HDAC3 (0.54) SSTR1HDAC1HDAC3HDAC2HDAC8
SCHEMBL26902843 0.79 HDAC3 (0.54) SSTR1HDAC1HDAC3HDAC2HDAC8
SCHEMBL8069944 0.78 HDAC1 (0.57) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL21158887 0.77 SSTR1 (0.61) SSTR1
SCHEMBL3952877 0.77 SIRT2 (0.72) SIRT2SIRT1SIRT3
SCHEMBL3952882 0.77 SIRT2 (0.72) SIRT2SIRT1SIRT3

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