SCHEMBL5219586

SCHEMBL5219586

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

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
REN P00797 9/20 0.57
CTSK P43235 3/20 0.52
KLK5 Q9Y337 2/20 0.51
APP P05067 1/20 0.49
PSEN1 P49768 1/20 0.49
PSEN2 P49810 1/20 0.49
APH1B Q8WW43 1/20 0.49
NCSTN Q92542 1/20 0.49
APH1A Q96BI3 1/20 0.49
PSENEN Q9NZ42 1/20 0.49
CTSD P07339 1/20 0.49
BACE1 P56817 1/20 0.49
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
SCHEMBL5219578 1.00 REN (0.57) RENCTSKKLK5APPPSEN1
SCHEMBL5222142 0.86 BACE1 (0.62) RENKLK5APPPSEN1PSEN2
SCHEMBL5222136 0.86 BACE1 (0.62) RENKLK5APPPSEN1PSEN2
SCHEMBL5222139 0.86 BACE1 (0.62) RENKLK5APPPSEN1PSEN2
SCHEMBL5222134 0.86 BACE1 (0.62) RENKLK5APPPSEN1PSEN2
Hydrochloric Acid SCHEMBL5217139 0.81 CSNK1E (0.50) RENCTSDBACE1
Hydrochloric Acid SCHEMBL5217145 0.81 CSNK1E (0.50) RENCTSDBACE1
SCHEMBL10783779 0.80 PSEN1 (0.60) RENKLK5APPPSEN1PSEN2
SCHEMBL10783769 0.80 PSEN1 (0.60) RENKLK5APPPSEN1PSEN2
SCHEMBL5387766 0.79 KLK5 (0.59) CTSKKLK5APPPSEN1PSEN2

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