SCHEMBL7635354

SCHEMBL7635354

CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@@H](Cc1ccc(CCc2ccccc2)cc1)C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 5/20 0.59
PSEN2 P49810 5/20 0.59
APH1B Q8WW43 5/20 0.59
NCSTN Q92542 5/20 0.59
APH1A Q96BI3 5/20 0.59
PSENEN Q9NZ42 5/20 0.59
APP P05067 1/20 0.59
KLK5 Q9Y337 3/20 0.57
REN P00797 2/20 0.51
ATM Q13315 1/20 0.48
ACE P12821 1/20 0.47
CTSS P25774 2/20 0.47
CTSL P07711 1/20 0.47
CTSB P07858 1/20 0.47
CTSK P43235 1/20 0.47
PPARA Q07869 2/20 0.46
PPARG P37231 1/20 0.46

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
SCHEMBL7635350 1.00 PSEN1 (0.59) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7439460 0.95 PSEN1 (0.63) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7439457 0.95 PSEN1 (0.63) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7635312 0.92 PSEN1 (0.61) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7635306 0.92 PSEN1 (0.61) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8894526 0.91 PSEN1 (0.58) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8894522 0.91 PSEN1 (0.58) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8892019 0.90 PSEN1 (0.57) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7637345 0.90 PSEN1 (0.57) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7637350 0.90 PSEN1 (0.57) PSEN1PSEN2APH1BNCSTNAPH1A

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 5 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
EP-0708085-A2 Antiviral ethers of aspartate protease substrate isosteres CIBA-GEIGY AG (CH) 1996-04-24 EP disclosed