SCHEMBL8891487

SCHEMBL8891487

CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@@H](Cc1ccccc1C#N)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 4/20 0.51
PSEN2 P49810 4/20 0.51
APH1B Q8WW43 4/20 0.51
NCSTN Q92542 4/20 0.51
APH1A Q96BI3 4/20 0.51
PSENEN Q9NZ42 4/20 0.51
APP P05067 1/20 0.51
KLK5 Q9Y337 3/20 0.51
CTSS P25774 6/20 0.48
CTSK P43235 5/20 0.48
CTSL P07711 1/20 0.48
CTSB P07858 1/20 0.48
REN P00797 2/20 0.47
PTPN1 P18031 1/20 0.47
ATM Q13315 1/20 0.43
ACE P12821 1/20 0.42

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
SCHEMBL8891483 1.00 PSEN1 (0.51) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7439460 0.87 PSEN1 (0.63) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7439457 0.87 PSEN1 (0.63) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7629197 0.86 PSEN1 (0.55) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7629200 0.86 PSEN1 (0.55) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7635793 0.85 PSEN1 (0.54) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7635798 0.85 PSEN1 (0.54) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8894550 0.85 CTSS (0.43) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8894555 0.85 CTSS (0.43) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8894934 0.85 REN (0.54) CTSSCTSKREN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5643878-A TREATMENT OF RETROVIRAL DISEASES LIKE AIDS CIBA-GEIGY CORPORATION (US) 1997-07-01 US disclosed
EP-0618222-A2 Dipeptid derivatives of 5-amino-4-hydroxy-hexanoic acid CIBA-GEIGY AG (CH) 1994-10-05 EP disclosed