SCHEMBL29309835

SCHEMBL29309835

C=C1CC(CC)CC(CN(C)Cc2ccc(/C=C/C(=O)NO)cc2)C1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ HDAC6 Q9UBN7 12/20 0.54
▸ HDAC3 O15379 11/20 0.54
▸ HDAC1 Q13547 11/20 0.54
▸ HDAC8 Q9BY41 8/20 0.54
▸ HDAC2 Q92769 8/20 0.54
▸ HDAC5 Q9UQL6 7/20 0.54
▸ HDAC4 P56524 6/20 0.54
▸ HDAC10 Q969S8 4/20 0.54
▸ KDM1A O60341 2/20 0.42
▸ MAOA P21397 2/20 0.41
▸ MAOB P27338 1/20 0.41
▸ HDAC7 Q8WUI4 2/20 0.40
▸ HDAC11 Q96DB2 2/20 0.40
▸ HDAC9 Q9UKV0 2/20 0.40
▸ MEF2D Q14814 1/20 0.39
▸ BCHE P06276 1/20 0.39
▸ ACHE P22303 1/20 0.39

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
SCHEMBL17483891 0.79 HDAC1 (0.71) HDAC6HDAC3HDAC1HDAC8HDAC2
SCHEMBL23054865 0.75 HDAC3 (0.75) HDAC6HDAC3HDAC1HDAC8HDAC2
SCHEMBL19682899 0.74 HDAC6 (0.61) HDAC6HDAC3HDAC1HDAC8HDAC2
SCHEMBL22951073 0.73 HDAC6 (0.72) HDAC6HDAC3HDAC1HDAC8HDAC2
SCHEMBL12592142 0.73 HDAC3 (0.71) HDAC6HDAC3HDAC1HDAC8HDAC2
SCHEMBL17483934 0.73 HDAC6 (0.65) HDAC6HDAC3HDAC1HDAC8HDAC2
SCHEMBL12150981 0.71 HDAC6 (1.00) HDAC6HDAC3HDAC1HDAC8HDAC2
SCHEMBL21241377 0.71 HDAC6 (0.59) HDAC6HDAC3HDAC1HDAC8HDAC2
SCHEMBL19666006 0.70 HDAC6 (1.00) HDAC6HDAC3HDAC1HDAC8HDAC2
SCHEMBL16653780 0.70 HDAC6 (1.00) HDAC6HDAC3HDAC1HDAC8HDAC2

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-4397656-A2 HDAC6 INHIBITORS AND IMAGING AGENTS The General Hospital Corporation (US) 2024-07-10 — — EP disclosed
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