SCHEMBL5223349

SCHEMBL5223349

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

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KLK5 Q9Y337 3/20 0.62
ATM Q13315 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 2/20 0.52
CTSS P25774 2/20 0.48
CTSL P07711 1/20 0.48
CTSB P07858 1/20 0.48
CTSK P43235 1/20 0.48

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
SCHEMBL5217575 1.00 KLK5 (0.62) KLK5ATMPSEN1PSEN2APH1B
SCHEMBL5217566 1.00 KLK5 (0.62) KLK5ATMPSEN1PSEN2APH1B
SCHEMBL5223341 1.00 KLK5 (0.62) KLK5ATMPSEN1PSEN2APH1B
SCHEMBL10722184 0.87 BCHE (0.61) KLK5ATMPSEN1PSEN2APH1B
SCHEMBL5387766 0.87 KLK5 (0.59) KLK5ATMPSEN1PSEN2APH1B
SCHEMBL30318975 0.87 BCHE (0.61) KLK5ATMPSEN1PSEN2APH1B
SCHEMBL5387761 0.87 KLK5 (0.59) KLK5ATMPSEN1PSEN2APH1B
SCHEMBL7309908 0.87 KLK5 (0.65) KLK5ATMPSEN1PSEN2APH1B
SCHEMBL5404737 0.86 PSEN1 (0.58) KLK5ATMPSEN1PSEN2APH1B
SCHEMBL5404739 0.86 PSEN1 (0.58) KLK5ATMPSEN1PSEN2APH1B

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