SCHEMBL5209020

SCHEMBL5209020

COc1cccc(CN(CC(O)[C@H](CC(C)C)NC(=O)OCc2ccccc2)C(=O)OC(C)(C)C)c1

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 11/20 0.53
PSEN2 P49810 11/20 0.53
APH1B Q8WW43 11/20 0.53
NCSTN Q92542 11/20 0.53
APH1A Q96BI3 11/20 0.53
PSENEN Q9NZ42 11/20 0.53
BACE1 P56817 4/20 0.52
CTSB P07858 1/20 0.45
PTGES O14684 2/20 0.43
CTSK P43235 2/20 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
SCHEMBL3869800 1.00 PSEN1 (0.53) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3869797 1.00 PSEN1 (0.53) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL14201555 0.92 CTSB (0.54) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8364910 0.87 BACE1 (0.49) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3877669 0.85 PSEN1 (0.58) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3877670 0.85 PSEN1 (0.58) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL5446725 0.85 PSEN1 (0.58) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8365430 0.83 BACE1 (0.47) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4799325 0.81 PSEN1 (0.52) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8126305 0.81 PSEN1 (0.52) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1551801-A4 NOVEL GAMMA-LACTAMS AS BETA-SECRETASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2007-06-20 EP disclosed
EP-1551801-A1 NOVEL GAMMA-LACTAMS AS BETA-SECRETASE INHIBITORS Bristol-Myers Squibb Company (US) 2005-07-13 EP disclosed
WO-2004013098-A1 NOVEL GAMMA-LACTAMS AS BETA-SECRETASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2004-02-12 WO disclosed