SCHEMBL8059137

SCHEMBL8059137

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

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.47
HDAC3 O15379 4/20 0.47
HDAC4 P56524 4/20 0.47
HDAC1 Q13547 4/20 0.47
HDAC7 Q8WUI4 4/20 0.47
HDAC2 Q92769 4/20 0.47
HDAC10 Q969S8 4/20 0.47
HDAC11 Q96DB2 4/20 0.47
HDAC8 Q9BY41 4/20 0.47
HDAC6 Q9UBN7 4/20 0.47
HDAC9 Q9UKV0 4/20 0.47
HDAC5 Q9UQL6 4/20 0.47
SIRT2 Q8IXJ6 10/20 0.44
SIRT1 Q96EB6 8/20 0.44
SIRT3 Q9NTG7 5/20 0.44
TGM2 P21980 1/20 0.43
SIRT5 Q9NXA8 1/20 0.43
FOLH1 Q04609 1/20 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
SCHEMBL8059127 0.87 HDAC3 (0.49) MAPTHDAC3HDAC4HDAC1HDAC7
SCHEMBL8075112 0.86 SSTR1 (0.56) MAPTHDAC3HDAC4HDAC1HDAC7
SCHEMBL8069944 0.76 HDAC1 (0.57) MAPTHDAC3HDAC4HDAC1HDAC7
SCHEMBL8079292 0.74 HDAC1 (0.53) MAPTHDAC3HDAC4HDAC1HDAC7
SCHEMBL3952882 0.74 SIRT2 (0.72) SIRT2SIRT1SIRT3TGM2SIRT5
SCHEMBL3952877 0.74 SIRT2 (0.72) SIRT2SIRT1SIRT3TGM2SIRT5
SCHEMBL3953097 0.73 SIRT2 (0.73) SIRT2SIRT1SIRT3SIRT5FOLH1
SCHEMBL3953099 0.73 SIRT2 (0.73) SIRT2SIRT1SIRT3SIRT5FOLH1
SCHEMBL8079294 0.73 HDAC6 (0.49) MAPTHDAC3HDAC4HDAC1HDAC7
Trifluoroacetic Acid SCHEMBL15671472 0.72 HDAC1 (0.44) 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