SCHEMBL5223891

SCHEMBL5223891

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

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KLK5 Q9Y337 3/20 0.59
ATM Q13315 1/20 0.56
BCHE P06276 2/20 0.52
BACE1 P56817 2/20 0.51
PSEN1 P49768 3/20 0.50
PSEN2 P49810 3/20 0.50
APH1B Q8WW43 3/20 0.50
NCSTN Q92542 3/20 0.50
APH1A Q96BI3 3/20 0.50
PSENEN Q9NZ42 3/20 0.50
APP P05067 1/20 0.49
CTSK P43235 3/20 0.48
CTSS P25774 2/20 0.48
CTSL P07711 1/20 0.48
CTSB P07858 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
SCHEMBL5223896 1.00 KLK5 (0.59) KLK5ATMBCHEBACE1PSEN1
SCHEMBL5379746 0.93 KLK5 (0.57) KLK5ATMBCHEBACE1PSEN1
SCHEMBL7761083 0.93 KLK5 (0.57) KLK5ATMBCHEBACE1PSEN1
SCHEMBL5379743 0.93 KLK5 (0.57) KLK5ATMBCHEBACE1PSEN1
SCHEMBL5393283 0.92 KLK5 (0.56) KLK5ATMBCHEBACE1PSEN1
SCHEMBL5393279 0.92 KLK5 (0.56) KLK5ATMBCHEBACE1PSEN1
SCHEMBL7309908 0.92 KLK5 (0.65) KLK5ATMBCHEBACE1PSEN1
SCHEMBL5379412 0.91 KLK5 (0.55) KLK5ATMBCHEBACE1PSEN1
SCHEMBL5379408 0.91 KLK5 (0.55) KLK5ATMBCHEBACE1PSEN1
SCHEMBL5388531 0.91 KLK5 (0.59) KLK5ATMBCHEBACE1PSEN1

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