SCHEMBL31473165

SCHEMBL31473165

CC(C)(C)OC[C@@H]1NC(=O)C2COCCN2C1=O

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 3/20 0.35
ITGAV P06756 3/20 0.35
ITGA5 P08648 2/20 0.35
ABCG2 Q9UNQ0 1/20 0.35
HDAC4 P56524 3/20 0.33
HDAC1 Q13547 3/20 0.33
HDAC3 O15379 2/20 0.33
HDAC7 Q8WUI4 2/20 0.33
HDAC2 Q92769 2/20 0.33
HDAC10 Q969S8 2/20 0.33
HDAC11 Q96DB2 2/20 0.33
HDAC8 Q9BY41 2/20 0.33
HDAC6 Q9UBN7 2/20 0.33
HDAC9 Q9UKV0 2/20 0.33
HDAC5 Q9UQL6 2/20 0.33
ALDH1A1 P00352 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
PIK3C3 Q8NEB9 5/20 0.31

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
SCHEMBL31473163 0.80 SMN1; SMN2 (0.49) ABCG2HDAC4HDAC1HDAC3HDAC7
SCHEMBL337369 0.78 ITGB3 (0.40) ITGB3ITGAVITGA5HDAC4HDAC1
SCHEMBL337628 0.78 ITGB3 (0.40) ITGB3ITGAVITGA5HDAC4HDAC1
SCHEMBL1574075 0.78 ITGB3 (0.40) ITGB3ITGAVITGA5HDAC4HDAC1
SCHEMBL8246610 0.78 ITGB3 (0.40) ITGB3ITGAVITGA5HDAC4HDAC1
SCHEMBL3340358 0.78 ITGB3 (0.40) ITGB3ITGAVITGA5HDAC4HDAC1
SCHEMBL1574002 0.78 ITGB3 (0.40) ITGB3ITGAVITGA5HDAC4HDAC1
SCHEMBL31473146 0.73 GAA (0.33) ALDH1A1
SCHEMBL8245813 0.73 HDAC4 (0.44) HDAC4HDAC1HDAC3HDAC7HDAC2
SCHEMBL22901846 0.72 ITGB3 (0.47) ITGB3ITGAVITGA5HDAC4HDAC1

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