SCHEMBL28085544

SCHEMBL28085544

Cc1cc(C)cc(N(C(=O)C(C)C)c2ccc(C(=O)N(C)CCCCCCC(=O)NO)cc2)c1

nearest known ligand 0.79

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 20/20 0.79
HDAC3 O15379 1/20 0.64
HDAC4 P56524 1/20 0.64
HDAC1 Q13547 1/20 0.64
HDAC7 Q8WUI4 1/20 0.64
HDAC2 Q92769 1/20 0.64
HDAC10 Q969S8 1/20 0.64
HDAC11 Q96DB2 1/20 0.64
HDAC8 Q9BY41 1/20 0.64
HDAC9 Q9UKV0 1/20 0.64
HDAC5 Q9UQL6 1/20 0.64

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
SCHEMBL28085543 0.89 HDAC6 (0.78) HDAC6HDAC3HDAC4HDAC1HDAC7
SCHEMBL2142662 0.89 HDAC6 (1.00) HDAC6HDAC3HDAC4HDAC1HDAC7
SCHEMBL28085558 0.88 HDAC6 (0.75) HDAC6HDAC3HDAC4HDAC1HDAC7
SCHEMBL2225295 0.85 HDAC6 (1.00) HDAC6HDAC3HDAC4HDAC1HDAC7
SCHEMBL15725442 0.80 HDAC6 (0.84) HDAC6HDAC3HDAC4HDAC1HDAC7
SCHEMBL2227202 0.77 HDAC6 (1.00) HDAC6HDAC3HDAC4HDAC1HDAC7
SCHEMBL15725424 0.77 HDAC6 (0.85) HDAC6HDAC3HDAC4HDAC1HDAC7
SCHEMBL2226000 0.76 HDAC6 (1.00) HDAC6HDAC3HDAC4HDAC1HDAC7
SCHEMBL2227862 0.75 HDAC6 (1.00) HDAC6HDAC3HDAC4HDAC1HDAC7
SCHEMBL2224914 0.75 HDAC6 (1.00) HDAC6HDAC3HDAC4HDAC1HDAC7

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105753739-A Reverse Amide Compounds As Protein Deacetylase Inhibitors And Methods Of Use Thereof 埃斯泰隆制药公司 2016-07-13 CN claimed
CN-105727298-A REVERSE AMIDE COMPOUNDS AS PROTEIN DEACETYLASE INHIBITORS AND METHODS OF USE THEREOF 埃斯泰隆制药公司 2016-07-06 CN disclosed