SCHEMBL2225870

SCHEMBL2225870

COC(Cc1ccccn1)c1ccc(C(=O)N(C)CCCCCCC(=O)NO)cc1

nearest known ligand 0.61

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 20/20 0.61
HDAC1 Q13547 2/20 0.54

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
SCHEMBL2226155 0.88 HDAC6 (0.64) HDAC6HDAC1
SCHEMBL2225875 0.83 HDAC6 (0.60) HDAC6HDAC1
SCHEMBL2227519 0.83 HDAC6 (0.59) HDAC6HDAC1
SCHEMBL2224596 0.80 HDAC6 (0.63) HDAC6HDAC1
SCHEMBL2226159 0.77 HDAC6 (0.63) HDAC6HDAC1
SCHEMBL2224837 0.77 HDAC6 (1.00) HDAC6HDAC1
SCHEMBL2225301 0.76 HDAC6 (0.88) HDAC6
SCHEMBL6881247 0.75 HDAC6 (1.00) HDAC6
SCHEMBL2225510 0.75 HDAC6 (1.00) HDAC6HDAC1
SCHEMBL15525296 0.75 HDAC6 (0.81) HDAC6HDAC1

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-2011091213-A2 REVERSE AMIDE COMPOUNDS AS PROTEIN DEACETYLASE INHIBITORS AND METHODS OF USE THEREOF ACETYLON PHARMACEUTICALS (US) 2011-07-28 WO claimed