SCHEMBL5217980

SCHEMBL5217980

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

nearest known ligand 0.67

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KLK5 Q9Y337 3/20 0.62
ATM Q13315 1/20 0.56
BACE1 P56817 1/20 0.53
PSEN1 P49768 3/20 0.52
PSEN2 P49810 3/20 0.52
APH1B Q8WW43 3/20 0.52
NCSTN Q92542 3/20 0.52
APH1A Q96BI3 3/20 0.52
PSENEN Q9NZ42 3/20 0.52
APP P05067 1/20 0.52
CTSS P25774 2/20 0.51
CTSL P07711 1/20 0.51
CTSB P07858 1/20 0.51
CTSK P43235 1/20 0.51
ACE P12821 1/20 0.49
BCHE P06276 1/20 0.49

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
SCHEMBL5217989 1.00 KLK5 (0.62) KLK5ATMBACE1PSEN1PSEN2
SCHEMBL5226929 0.90 KLK5 (0.60) KLK5ATMBACE1PSEN1PSEN2
SCHEMBL7309908 0.90 KLK5 (0.65) KLK5ATMBACE1PSEN1PSEN2
SCHEMBL30318987 0.89 BACE1 (0.67) KLK5ATMBACE1PSEN1PSEN2
SCHEMBL5404602 0.89 KLK5 (0.59) KLK5ATMBACE1PSEN1PSEN2
SCHEMBL5404605 0.89 KLK5 (0.59) KLK5ATMBACE1PSEN1PSEN2
SCHEMBL5392055 0.89 KLK5 (0.64) KLK5ATMBACE1PSEN1PSEN2
SCHEMBL5392060 0.89 KLK5 (0.64) KLK5ATMBACE1PSEN1PSEN2
SCHEMBL495921 0.89 KLK5 (0.64) KLK5ATMBACE1PSEN1PSEN2
SCHEMBL495922 0.89 KLK5 (0.64) KLK5ATMBACE1PSEN1PSEN2

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-1567488-B1 HYDROXYETHYLAMINE DERIVATIVES FOR THE TREATMENT OF ALZHEIMER'S DISEASE GLAXO GROUP LTD (GB) 2007-02-21 EP disclosed