SCHEMBL28639623

SCHEMBL28639623

O=C(/C=C/c1ccc(C(=O)NCC2CCN(Cc3ccccc3)CC2)cc1)NO

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 12/20 1.00
HDAC3 O15379 11/20 1.00
HDAC4 P56524 11/20 1.00
HDAC1 Q13547 11/20 1.00
HDAC7 Q8WUI4 11/20 1.00
HDAC2 Q92769 11/20 1.00
HDAC10 Q969S8 11/20 1.00
HDAC11 Q96DB2 11/20 1.00
HDAC6 Q9UBN7 11/20 1.00
HDAC9 Q9UKV0 11/20 1.00
HDAC5 Q9UQL6 11/20 1.00
BCHE P06276 5/20 0.62
ACHE P22303 5/20 0.62
MAOA P21397 2/20 0.61
MAOB P27338 1/20 0.59

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
SCHEMBL28639626 1.00 HDAC8 (1.00) HDAC8HDAC3HDAC4HDAC1HDAC7
SCHEMBL28644627 0.92 HDAC4 (1.00) HDAC8HDAC3HDAC4HDAC1HDAC7
SCHEMBL28644622 0.92 HDAC4 (1.00) HDAC8HDAC3HDAC4HDAC1HDAC7
SCHEMBL29171642 0.92 HDAC3 (0.84) HDAC8HDAC3HDAC4HDAC1HDAC7
SCHEMBL28644568 0.92 HDAC3 (0.84) HDAC8HDAC3HDAC4HDAC1HDAC7
SCHEMBL28644517 0.90 HDAC3 (1.00) HDAC8HDAC3HDAC4HDAC1HDAC7
SCHEMBL28644516 0.90 HDAC3 (1.00) HDAC8HDAC3HDAC4HDAC1HDAC7
SCHEMBL28644533 0.87 HDAC3 (0.84) HDAC8HDAC3HDAC4HDAC1HDAC7
SCHEMBL28644531 0.87 HDAC3 (0.84) HDAC8HDAC3HDAC4HDAC1HDAC7
SCHEMBL28657578 0.87 HDAC3 (1.00) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113582911-B Multi-target donepezil-hydroxamic acid compound, and preparation method and application thereof 山东大学 2024-03-12 CN claimed
CN-113582911-A Multi-target donepezil-hydroxamic acid type compound and preparation method and application thereof 山东大学 2021-11-02 CN claimed
CN-113582911-B Multi-target donepezil-hydroxamic acid compound, and preparation method and application thereof 山东大学 2024-03-12 CN disclosed
CN-113582911-A Multi-target donepezil-hydroxamic acid type compound and preparation method and application thereof 山东大学 2021-11-02 CN disclosed