SCHEMBL4729560

SCHEMBL4729560

CC(C)(C)OC(=O)N[C@@H](CCCCN)C(=O)Nc1ccccc1O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC4 P56524 5/20 0.52
▸ HDAC1 Q13547 5/20 0.52
▸ HDAC3 O15379 3/20 0.50
▸ HDAC7 Q8WUI4 3/20 0.50
▸ HDAC2 Q92769 3/20 0.50
▸ HDAC10 Q969S8 3/20 0.50
▸ HDAC11 Q96DB2 3/20 0.50
▸ HDAC8 Q9BY41 3/20 0.50
▸ HDAC6 Q9UBN7 3/20 0.50
▸ HDAC9 Q9UKV0 3/20 0.50
▸ HDAC5 Q9UQL6 3/20 0.50
▸ SIRT5 Q9NXA8 2/20 0.47
▸ MAPT P10636 2/20 0.46
▸ TP53 P04637 1/20 0.46
▸ CTSK P43235 4/20 0.45
▸ CTSS P25774 1/20 0.45
▸ CA1 P00915 1/20 0.45
▸ CA2 P00918 1/20 0.45
▸ AAK1 Q2M2I8 2/20 0.45
▸ JAK3 P52333 1/20 0.44

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
SCHEMBL2925561 0.81 HDAC4 (0.64) HDAC4HDAC1HDAC3HDAC7HDAC2
SCHEMBL7413228 0.81 MAPT (0.48) HDAC4HDAC1HDAC8MAPTTP53
SCHEMBL7413232 0.81 MAPT (0.48) HDAC4HDAC1HDAC8MAPTTP53
SCHEMBL5655190 0.80 CTSK (0.48) HDAC4HDAC1HDAC3HDAC7HDAC2
SCHEMBL5654573 0.79 CTSK (0.45) HDAC4HDAC1HDAC3HDAC7HDAC2
SCHEMBL27676034 0.79 CTSK (0.48) HDAC4HDAC1HDAC3HDAC7HDAC2
SCHEMBL27676035 0.79 CTSK (0.48) HDAC4HDAC1HDAC3HDAC7HDAC2
SCHEMBL5970266 0.79 HDAC4 (0.54) HDAC4HDAC1HDAC3HDAC7HDAC2
SCHEMBL1255732 0.79 CTSS (0.62) HDAC8MAPTTP53CTSKCTSS
SCHEMBL7208633 0.79 HDAC4 (0.53) HDAC4HDAC1HDAC3HDAC7HDAC2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008050161-A2 PEPTIDES FOR ACTIVATION OF ANGIOGENESIS, PHARMACEUTICAL COMPOUNDS CONTAINING SAME AND USE OF THESE COMPOUNDS BIOSTATIN GYÓGYSZERKUTATÓ-FEJLESZTÖ KFT. (HU) 2008-05-02 — — WO claimed
WO-2008050161-A2 PEPTIDES FOR ACTIVATION OF ANGIOGENESIS, PHARMACEUTICAL COMPOUNDS CONTAINING SAME AND USE OF THESE COMPOUNDS BIOSTATIN GYÓGYSZERKUTATÓ-FEJLESZTÖ KFT. (HU) 2008-05-02 — — WO disclosed
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