SCHEMBL7305830

SCHEMBL7305830

CC(C)(C)OC(=O)N[C@@H](CC1CCCCC1)[C@@H]1CCC(=O)O1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CTSS P25774 2/20 0.47
CTSK P43235 2/20 0.47
AAK1 Q2M2I8 2/20 0.39
REN P00797 9/20 0.37
CYP3A4 P08684 1/20 0.37
HDAC4 P56524 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
CACNA1B Q00975 1/20 0.36
EPHX1 P07099 1/20 0.36
CTSD P07339 1/20 0.34
CTSE P14091 1/20 0.34
ALDH1A1 P00352 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL7273203 1.00 CTSS (0.47) CTSSCTSKAAK1RENCYP3A4
SCHEMBL1867025 0.83 CTSK (0.53) CTSSCTSKAAK1RENCYP3A4
SCHEMBL4974388 0.83 CTSK (0.53) CTSSCTSKAAK1RENCYP3A4
SCHEMBL7375658 0.83 CTSK (0.53) CTSSCTSKAAK1RENCYP3A4
SCHEMBL7332961 0.83 CTSK (0.53) CTSSCTSKAAK1RENCYP3A4
SCHEMBL28848451 0.83 CTSK (0.53) CTSSCTSKAAK1RENCYP3A4
SCHEMBL2760591 0.82 CA1 (0.40) CTSSCTSKKMT2A
SCHEMBL8270806 0.82 CA1 (0.40) CTSSCTSKKMT2A
SCHEMBL2760527 0.82 CA1 (0.40) CTSSCTSKKMT2A
SCHEMBL7289613 0.81 GRN (0.35) CTSSCTSK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5663200-A CARBAMOYL PEPTIDE DERIVATIVES AS VIRICIDES CIBA-GEIGY CORPORATION (US) 1997-09-02 US disclosed
US-5663168-A ADMINISTERING INHIBITORS OF HIV ASPARATATE PROTEASES CIBA-GEIGY CORPORATION (US) 1997-09-02 US disclosed
US-5643878-A TREATMENT OF RETROVIRAL DISEASES LIKE AIDS CIBA-GEIGY CORPORATION (US) 1997-07-01 US disclosed
EP-0708085-A2 Antiviral ethers of aspartate protease substrate isosteres CIBA-GEIGY AG (CH) 1996-04-24 EP disclosed
US-5378689-A Hypotensive agents; administrable by mouth SANKYO COMPANY, LIMITED (JP) 1995-01-03 US disclosed
EP-0626178-A1 Use of inhibitors of HIV-protease for the treatment of tumorous diseases CIBA-GEIGY AG (CH) 1994-11-30 EP disclosed
US-5364844-A Hypotensive agents SANKYO COMPANY, LIMITED (JP) 1994-11-15 US disclosed
EP-0618222-A2 Dipeptid derivatives of 5-amino-4-hydroxy-hexanoic acid CIBA-GEIGY AG (CH) 1994-10-05 EP disclosed
EP-0326364-B1 Renin inhibitory oligopeptides, their preparation and use SANKYO CO (JP) 1994-06-22 EP disclosed
EP-0550924-A1 2-Pyrrolidinone derivatives as HIV protease inhibitors MERCK & CO. INC. (US) 1993-07-14 EP disclosed
EP-0212903-B1 POLYPEPTIDE DERIVATIVES CONTAINING 5-AMINO-2,5-DISUBSTITUTED-4-HYDROXYPENTANOIC ACID RESIDUES PFIZER INC. (US) 1992-12-30 EP disclosed
US-5091425-A Inhibitors of the catalytic action of renin IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1992-02-25 US disclosed
US-4992562-A Renin inhibitors containing 5-amino-2,5-disubstituted-4-hydroxypentanoic acid residues PFIZER INC. (US) 1991-02-12 US disclosed
US-4948913-A Renin inhibitors containing 5-amino-2,5-disubstituted-4-hydroxypentanoic acid residues PFIZER INC. (US) 1990-08-14 US disclosed
EP-0326364-A2 Renin inhibitory oligopeptides, their preparation and use Sankyo Company Limited (JP) 1989-08-02 EP disclosed
US-4729985-A Renin inhibitors containing 5-amino-2,5-disubstituted-4-hydroxypentanoic acid residues PFIZER INC. (US) 1988-03-08 US disclosed
EP-0212903-A2 Polypeptide derivatives containing 5-amino-2,5-disubstituted-4-hydroxypentanoic acid residues PFIZER INC. (US) 1987-03-04 EP disclosed