SCHEMBL28644516

SCHEMBL28644516

O=C(/C=C/c1cccc(C(=O)NCC2CCN(Cc3ccccc3)CC2)c1)NO

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 12/20 1.00
HDAC4 P56524 12/20 1.00
HDAC1 Q13547 12/20 1.00
HDAC7 Q8WUI4 12/20 1.00
HDAC2 Q92769 12/20 1.00
HDAC10 Q969S8 12/20 1.00
HDAC11 Q96DB2 12/20 1.00
HDAC8 Q9BY41 12/20 1.00
HDAC6 Q9UBN7 12/20 1.00
HDAC9 Q9UKV0 12/20 1.00
HDAC5 Q9UQL6 12/20 1.00
BCHE P06276 6/20 0.61
ACHE P22303 6/20 0.61
MAOA P21397 3/20 0.58
MAOB P27338 2/20 0.58

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
SCHEMBL28644517 1.00 HDAC3 (1.00) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL29171646 0.91 HDAC3 (0.84) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL28644104 0.91 HDAC3 (0.84) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL28639623 0.90 HDAC8 (1.00) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL28639626 0.90 HDAC8 (1.00) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL28644541 0.87 HDAC3 (1.00) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL28644540 0.87 HDAC3 (1.00) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL30798943 0.87 HDAC3 (1.00) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL28644622 0.82 HDAC4 (1.00) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL28644627 0.82 HDAC4 (1.00) HDAC3HDAC4HDAC1HDAC7HDAC2

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