SCHEMBL7301022

SCHEMBL7301022

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

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 2/20 0.52
PSEN2 P49810 2/20 0.52
APH1B Q8WW43 2/20 0.52
NCSTN Q92542 2/20 0.52
APH1A Q96BI3 2/20 0.52
PSENEN Q9NZ42 2/20 0.52
APP P05067 1/20 0.52
CTSD P07339 4/20 0.49
BACE1 P56817 1/20 0.48
REN P00797 3/20 0.47
CA2 P00918 2/20 0.47
KLK5 Q9Y337 1/20 0.46
CTSS P25774 1/20 0.45
CTSK P43235 1/20 0.45
KMT2A Q03164 1/20 0.44

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
SCHEMBL7293225 1.00 PSEN1 (0.52) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7301669 0.85 PSEN1 (0.54) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7290790 0.85 PSEN1 (0.63) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL10444524 0.84 PSEN1 (0.46) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7299509 0.82 PSEN1 (0.57) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7290892 0.82 PSEN1 (0.61) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7301600 0.81 PSEN1 (0.68) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7290787 0.80 PSEN1 (0.64) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7301895 0.80 PSEN1 (0.68) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7295122 0.79 PSEN1 (0.51) 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