SCHEMBL5217764

SCHEMBL5217764

CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1(Cc2cccc(Cl)c2)CCC1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ KLK5 Q9Y337 3/20 0.52
▸ CTSL P07711 1/20 0.47
▸ PSEN1 P49768 3/20 0.45
▸ PSEN2 P49810 3/20 0.45
▸ APH1B Q8WW43 3/20 0.45
▸ NCSTN Q92542 3/20 0.45
▸ APH1A Q96BI3 3/20 0.45
▸ PSENEN Q9NZ42 3/20 0.45
▸ ATM Q13315 1/20 0.42
▸ BACE1 P56817 5/20 0.41
▸ CTSD P07339 3/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ SCN9A Q15858 1/20 0.41
▸ REN P00797 3/20 0.41
▸ APP P05067 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.40

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
SCHEMBL5217768 1.00 KLK5 (0.52) KLK5CTSLPSEN1PSEN2APH1B
SCHEMBL5225871 0.80 KLK5 (0.57) KLK5CTSLPSEN1PSEN2APH1B
SCHEMBL7877924 0.79 KLK5 (0.52) KLK5PSEN1PSEN2APH1BNCSTN
SCHEMBL5378900 0.79 F2 (0.39) CTSL
Hydrochloric Acid SCHEMBL5224811 0.78 LMNA (0.40) —
SCHEMBL7309908 0.75 KLK5 (0.65) KLK5CTSLPSEN1PSEN2APH1B
SCHEMBL5383365 0.75 F2 (0.40) CTSL
SCHEMBL5218395 0.75 SLC2A1 (0.37) CTSL
SCHEMBL5396616 0.74 KLK5 (0.61) KLK5CTSLPSEN1PSEN2APH1B
SCHEMBL5396623 0.74 KLK5 (0.61) KLK5CTSLPSEN1PSEN2APH1B

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
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