SCHEMBL7299901

SCHEMBL7299901

CCOC(=O)[C@H](CCC(=O)ON1C(=O)CCC1=O)NC(=O)OCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BCHE P06276 3/20 0.50
ACHE P22303 3/20 0.50
CACNA1F O60840 1/20 0.50
CACNA1D Q01668 1/20 0.50
CACNA1S Q13698 1/20 0.50
CACNA1C Q13936 1/20 0.50
SIRT2 Q8IXJ6 2/20 0.44
SIRT1 Q96EB6 2/20 0.44
CASP1 P29466 1/20 0.44
CTSL P07711 2/20 0.44
CTSS P25774 1/20 0.44
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 1/20 0.43
HPGD P15428 1/20 0.43
KMT2A Q03164 1/20 0.43
CTSK P43235 3/20 0.43
SIRT3 Q9NTG7 1/20 0.43
ACE P12821 1/20 0.42

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
SCHEMBL29402191 0.94 CASP1 (0.47) BCHEACHECACNA1FCACNA1DCACNA1S
SCHEMBL6706623 0.92 BCHE (0.54) BCHEACHECACNA1FCACNA1DCACNA1S
SCHEMBL31047751 0.92 KYNU (0.49) BCHEACHECACNA1FCACNA1DCACNA1S
SCHEMBL10313730 0.92 CASP1 (0.47) BCHEACHECACNA1FCACNA1DCACNA1S
SCHEMBL31614372 0.92 CASP1 (0.47) BCHEACHECACNA1FCACNA1DCACNA1S
SCHEMBL7130286 0.88 BCHE (0.48) BCHEACHECACNA1FCACNA1DCACNA1S
SCHEMBL13418028 0.86 CASP1 (0.43) BCHEACHECACNA1FCACNA1DCACNA1S
SCHEMBL29401031 0.86 KLK7 (0.47) BCHEACHECTSLCTSSCTSK
SCHEMBL7299898 0.85 ACE (0.39) BCHEACHECACNA1FCACNA1DCACNA1S
SCHEMBL28704605 0.85 BCHE (0.58) BCHEACHECACNA1FCACNA1DCACNA1S

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
EP-0352815-B1 PRODRUGS OF DOPAMINE ZAMBON GROUP S.p.A. (IT) 1993-05-19 EP disclosed
EP-0352815-A1 Prodrugs of dopamine ZAMBON GROUP S.p.A. (IT) 1990-01-31 EP disclosed