SCHEMBL17425318

SCHEMBL17425318

C=C(CCCCCCN1C(=O)c2ccccc2Oc2ccccc21)NO

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 18/20 0.77
HDAC3 O15379 15/20 0.77
HDAC4 P56524 15/20 0.77
HDAC1 Q13547 15/20 0.77
HDAC7 Q8WUI4 15/20 0.77
HDAC2 Q92769 15/20 0.77
HDAC10 Q969S8 15/20 0.77
HDAC11 Q96DB2 15/20 0.77
HDAC6 Q9UBN7 15/20 0.77
HDAC9 Q9UKV0 15/20 0.77
HDAC5 Q9UQL6 15/20 0.77
TUBB4A P04350 8/20 0.77
TUBB P07437 8/20 0.77
TUBA3C P0DPH7 8/20 0.77
TUBA1B P68363 8/20 0.77
TUBA4A P68366 8/20 0.77
TUBB4B P68371 8/20 0.77
TUBB3 Q13509 8/20 0.77
TUBB2A Q13885 8/20 0.77
TUBB8 Q3ZCM7 8/20 0.77

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
SCHEMBL2144150 0.87 HDAC8 (1.00) HDAC8HDAC3HDAC4HDAC1HDAC7
SCHEMBL1367877 0.87 HDAC8 (1.00) HDAC8HDAC3HDAC4HDAC1HDAC7
SCHEMBL2143790 0.87 HDAC8 (1.00) HDAC8HDAC3HDAC4HDAC1HDAC7
SCHEMBL1367274 0.79 HDAC8 (0.66) HDAC8HDAC3HDAC4HDAC1HDAC7
SCHEMBL5356201 0.79 HDAC3 (0.66) HDAC8HDAC3HDAC4HDAC1HDAC7
SCHEMBL5464107 0.79 HDAC8 (0.66) HDAC8HDAC3HDAC4HDAC1HDAC7
SCHEMBL11993876 0.78 HDAC6 (0.59) HDAC8HDAC3HDAC4HDAC1HDAC7
SCHEMBL16566438 0.77 HDAC3 (0.64) HDAC8HDAC3HDAC4HDAC1HDAC7
SCHEMBL4896903 0.76 HDAC8 (1.00) HDAC8HDAC3HDAC4HDAC1HDAC7
SCHEMBL1366285 0.76 HDAC3 (0.61) HDAC8HDAC3HDAC4HDAC1HDAC7

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
EP-2966078-A2 Inhibitors of histone deacetylase MethylGene Inc. (CA) 2016-01-13 EP disclosed