SCHEMBL7637553

SCHEMBL7637553

CC(C)(C)OC(=O)N[C@@H](Cc1ccc(OCc2ccccc2)cc1)[C@@H](O)C[C@@H](Cc1ccc(-c2ccccc2)cc1)C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BCL2 P10415 2/20 0.57
PTPN1 P18031 2/20 0.56
PSEN1 P49768 5/20 0.54
PSEN2 P49810 5/20 0.54
APH1B Q8WW43 5/20 0.54
NCSTN Q92542 5/20 0.54
APH1A Q96BI3 5/20 0.54
PSENEN Q9NZ42 5/20 0.54
APP P05067 1/20 0.54
REN P00797 1/20 0.52
KLK5 Q9Y337 2/20 0.52
MCL1 Q07820 1/20 0.48
GPR34 Q9UPC5 2/20 0.47
CTSS P25774 1/20 0.47
CTSK P43235 1/20 0.47

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
SCHEMBL7637546 1.00 BCL2 (0.57) BCL2PTPN1PSEN1PSEN2APH1B
SCHEMBL8892990 0.96 PSEN1 (0.55) BCL2PTPN1PSEN1PSEN2APH1B
SCHEMBL7627241 0.96 PSEN1 (0.55) BCL2PTPN1PSEN1PSEN2APH1B
SCHEMBL8892988 0.96 PSEN1 (0.55) BCL2PTPN1PSEN1PSEN2APH1B
SCHEMBL7629838 0.96 PSEN1 (0.55) BCL2PTPN1PSEN1PSEN2APH1B
SCHEMBL7629831 0.96 PSEN1 (0.55) BCL2PTPN1PSEN1PSEN2APH1B
SCHEMBL7627245 0.96 PSEN1 (0.55) BCL2PTPN1PSEN1PSEN2APH1B
SCHEMBL7629210 0.93 PSEN1 (0.52) BCL2PTPN1PSEN1PSEN2APH1B
SCHEMBL7629205 0.93 PSEN1 (0.52) BCL2PTPN1PSEN1PSEN2APH1B
SCHEMBL7635306 0.92 PSEN1 (0.61) 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