SCHEMBL7301895

SCHEMBL7301895

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

nearest known ligand 0.73

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 5/20 0.68
PSEN2 P49810 5/20 0.68
APH1B Q8WW43 5/20 0.68
NCSTN Q92542 5/20 0.68
APH1A Q96BI3 5/20 0.68
PSENEN Q9NZ42 5/20 0.68
APP P05067 1/20 0.68
REN P00797 8/20 0.59
CTSD P07339 4/20 0.55
ACE P12821 1/20 0.54
BACE1 P56817 1/20 0.54
KLK5 Q9Y337 1/20 0.50

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
SCHEMBL7290787 0.92 PSEN1 (0.64) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7301600 0.92 PSEN1 (0.68) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL12781585 0.89 PSEN1 (0.73) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6839020 0.89 PSEN1 (0.73) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL23133272 0.88 PSEN1 (0.81) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3197800 0.88 PSEN1 (0.81) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL17935524 0.88 PSEN1 (0.81) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL25901325 0.88 PSEN1 (0.81) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL12226233 0.88 PSEN1 (0.81) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7296995 0.87 PSEN1 (0.85) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0337714-A2 HIV protease inhibitors useful for the treatment of aids MERCK & CO. INC. (US) 1989-10-18 EP claimed