SCHEMBL3200301

SCHEMBL3200301

CN(C)c1ccc(SCCCCCC(=O)NO)cc1

nearest known ligand 0.68

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 20/20 0.68
HDAC3 O15379 18/20 0.68
HDAC4 P56524 18/20 0.68
HDAC7 Q8WUI4 18/20 0.68
HDAC2 Q92769 18/20 0.68
HDAC10 Q969S8 18/20 0.68
HDAC11 Q96DB2 18/20 0.68
HDAC8 Q9BY41 18/20 0.68
HDAC6 Q9UBN7 18/20 0.68
HDAC9 Q9UKV0 18/20 0.68
HDAC5 Q9UQL6 18/20 0.68
LTA4H P09960 1/20 0.58

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
SCHEMBL3204591 0.83 APP (0.51) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL3209879 0.81 HDAC1 (1.00) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL20545519 0.81 HDAC1 (0.73) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL20545011 0.81 HDAC1 (0.73) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL7317658 0.80 HDAC1 (1.00) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL20545504 0.80 HDAC1 (1.00) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL20544603 0.80 HDAC1 (0.68) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL20590122 0.79 HDAC1 (0.70) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL20590117 0.79 HDAC1 (0.97) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL11033529 0.78 HDAC1 (0.70) HDAC1HDAC3HDAC4HDAC7HDAC2

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
US-7683185-B2 Histone deacetylase inhibitors QUEEN MARY & WESTFIELD COLLEGE (GB) 2010-03-23 US claimed