SCHEMBL31473163

SCHEMBL31473163

CC(C)(C)OC[C@@H]1NC(=O)[C@H]2CCCN2C1=O

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.49
HDAC4 P56524 14/20 0.43
HDAC1 Q13547 13/20 0.43
HDAC6 Q9UBN7 5/20 0.43
HDAC3 O15379 2/20 0.43
HDAC7 Q8WUI4 2/20 0.43
HDAC2 Q92769 2/20 0.43
HDAC10 Q969S8 2/20 0.43
HDAC11 Q96DB2 2/20 0.43
HDAC8 Q9BY41 2/20 0.43
HDAC9 Q9UKV0 2/20 0.43
HDAC5 Q9UQL6 2/20 0.43
NR1H3 Q13133 1/20 0.39
CISD1 Q9NZ45 1/20 0.39
ABCG2 Q9UNQ0 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
SCHEMBL31473165 0.80 ITGB3 (0.35) SMN1; SMN2HDAC4HDAC1HDAC6HDAC3
SCHEMBL18926163 0.79 HDAC4 (0.53) HDAC4HDAC1HDAC6HDAC3HDAC7
SCHEMBL17896523 0.79 HDAC4 (0.53) HDAC4HDAC1HDAC6HDAC3HDAC7
SCHEMBL12228284 0.78 SMN1; SMN2 (0.49) SMN1; SMN2HDAC4HDAC1HDAC6HDAC3
SCHEMBL4402054 0.77 SMN1; SMN2 (0.57) SMN1; SMN2HDAC4HDAC1HDAC6HDAC3
SCHEMBL12228285 0.77 SMN1; SMN2 (0.57) SMN1; SMN2HDAC4HDAC1HDAC6HDAC3
SCHEMBL4405235 0.77 SMN1; SMN2 (0.57) SMN1; SMN2HDAC4HDAC1HDAC6HDAC3
SCHEMBL14952813 0.77 SMN1; SMN2 (0.57) SMN1; SMN2HDAC4HDAC1HDAC6HDAC3
SCHEMBL14952791 0.76 SMN1; SMN2 (0.56) SMN1; SMN2HDAC4HDAC1HDAC6HDAC3
SCHEMBL30281500 0.76 SMN1; SMN2 (0.56) SMN1; SMN2HDAC4HDAC1HDAC6HDAC3

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
CN-119403810-A Compounds, pharmaceutical compositions containing them and their medical use for the treatment or prevention of vascular diseases 瓦斯塞拉股份有限公司 2025-02-07 CN disclosed