SCHEMBL5218236

SCHEMBL5218236

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

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KLK5 Q9Y337 3/20 0.56
PSEN1 P49768 5/20 0.54
PSEN2 P49810 5/20 0.54
APH1B Q8WW43 5/20 0.54
NCSTN Q92542 5/20 0.54
APH1A Q96BI3 5/20 0.54
PSENEN Q9NZ42 5/20 0.54
ATM Q13315 1/20 0.52
APP P05067 1/20 0.51
BCHE P06276 1/20 0.48
BACE1 P56817 1/20 0.47
REN P00797 1/20 0.46

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
SCHEMBL5218246 1.00 KLK5 (0.56) KLK5PSEN1PSEN2APH1BNCSTN
SCHEMBL5379746 0.89 KLK5 (0.57) KLK5PSEN1PSEN2APH1BNCSTN
SCHEMBL5379743 0.89 KLK5 (0.57) KLK5PSEN1PSEN2APH1BNCSTN
SCHEMBL7761083 0.89 KLK5 (0.57) KLK5PSEN1PSEN2APH1BNCSTN
SCHEMBL5393283 0.88 KLK5 (0.56) KLK5PSEN1PSEN2APH1BNCSTN
SCHEMBL5393279 0.88 KLK5 (0.56) KLK5PSEN1PSEN2APH1BNCSTN
SCHEMBL12103325 0.88 KLK5 (0.61) KLK5PSEN1PSEN2APH1BNCSTN
SCHEMBL19261937 0.88 KLK5 (0.61) KLK5PSEN1PSEN2APH1BNCSTN
SCHEMBL8222457 0.88 KLK5 (0.61) KLK5PSEN1PSEN2APH1BNCSTN
SCHEMBL1104912 0.88 KLK5 (0.61) KLK5PSEN1PSEN2APH1BNCSTN

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