SCHEMBL7629893

SCHEMBL7629893

COCCOc1ccc(C[C@H](NC(=O)OC(C)(C)C)[C@@H](O)C[C@@H](Cc2ccc(OCc3ccccc3)cc2)C(=O)O)cc1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 5/20 0.50
PSEN2 P49810 5/20 0.50
APH1B Q8WW43 5/20 0.50
NCSTN Q92542 5/20 0.50
APH1A Q96BI3 5/20 0.50
PSENEN Q9NZ42 5/20 0.50
REN P00797 2/20 0.50
APP P05067 1/20 0.50
KLK5 Q9Y337 3/20 0.49
PTPN1 P18031 2/20 0.47
BCL2 P10415 1/20 0.47
ENPP2 Q13822 1/20 0.47
ITGB3 P05106 2/20 0.46
ITGA2B P08514 2/20 0.46
LTA4H P09960 1/20 0.43

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
SCHEMBL7629889 1.00 PSEN1 (0.50) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8892988 0.94 PSEN1 (0.55) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7627245 0.94 PSEN1 (0.55) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7629838 0.94 PSEN1 (0.55) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8892990 0.94 PSEN1 (0.55) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7627241 0.94 PSEN1 (0.55) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7629831 0.94 PSEN1 (0.55) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7629210 0.92 PSEN1 (0.52) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7629205 0.92 PSEN1 (0.52) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7637553 0.90 BCL2 (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