SCHEMBL7434880

SCHEMBL7434880

CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@H](C[C@@H](Cc1ccc(C#N)cc1)C(=O)O)O[Si](C)(C)C(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CTSS P25774 8/20 0.45
CTSK P43235 7/20 0.45
CTSB P07858 2/20 0.45
CTSL P07711 1/20 0.45
PTPN1 P18031 1/20 0.42
KLK5 Q9Y337 2/20 0.41
APP P05067 1/20 0.41
PSEN1 P49768 1/20 0.41
PSEN2 P49810 1/20 0.41
APH1B Q8WW43 1/20 0.41
NCSTN Q92542 1/20 0.41
APH1A Q96BI3 1/20 0.41
PSENEN Q9NZ42 1/20 0.41
ABCB1 P08183 2/20 0.40
ATM Q13315 1/20 0.40
ACE P12821 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
SCHEMBL7434874 1.00 CTSS (0.45) CTSSCTSKCTSBCTSLPTPN1
SCHEMBL8895064 0.92 FOLH1 (0.46) CTSSCTSKCTSBCTSLPTPN1
SCHEMBL8895068 0.92 FOLH1 (0.46) CTSSCTSKCTSBCTSLPTPN1
SCHEMBL5142842 0.92 KLK5 (0.47) CTSSCTSKCTSBCTSLKLK5
SCHEMBL7283432 0.92 KLK5 (0.47) CTSSCTSKCTSBCTSLKLK5
SCHEMBL6305846 0.92 KLK5 (0.47) CTSSCTSKCTSBCTSLKLK5
SCHEMBL6446803 0.92 KLK5 (0.47) CTSSCTSKCTSBCTSLKLK5
SCHEMBL7398818 0.92 KLK5 (0.47) CTSSCTSKCTSBCTSLKLK5
SCHEMBL7796450 0.92 KLK5 (0.47) CTSSCTSKCTSBCTSLKLK5
SCHEMBL7635824 0.90 KLK5 (0.44) CTSSCTSKCTSBCTSLKLK5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0708085-B1 Antiviral ethers of aspartate protease substrate isosteres NOVARTIS AG (CH) 2002-07-17 EP disclosed
US-5935976-A Antiviral ethers of aspartate protease substrate isosteres NOVARTIS CORPORATION (US) 1999-08-10 US disclosed
US-5807891-A RETROVIRUSES NOVARTIS AG (CH) 1998-09-15 US disclosed
US-5663200-A CARBAMOYL PEPTIDE DERIVATIVES AS VIRICIDES 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
EP-0618222-A2 Dipeptid derivatives of 5-amino-4-hydroxy-hexanoic acid CIBA-GEIGY AG (CH) 1994-10-05 EP disclosed
EP-0532466-A2 Derivatives of 5-amino-4-hydroxy-hexanoic acid and their therapeutical use CIBA-GEIGY AG (CH) 1993-03-17 EP disclosed