SCHEMBL5223543

SCHEMBL5223543

CC1(C)CCC(NC[C@@H](O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)CC1

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KLK5 Q9Y337 3/20 0.57
BACE1 P56817 11/20 0.51
PSEN1 P49768 2/20 0.49
PSEN2 P49810 2/20 0.49
APH1B Q8WW43 2/20 0.49
NCSTN Q92542 2/20 0.49
APH1A Q96BI3 2/20 0.49
PSENEN Q9NZ42 2/20 0.49
CTSD P07339 4/20 0.47
BACE2 Q9Y5Z0 3/20 0.47
ATM Q13315 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
SCHEMBL5928550 0.92 KLK5 (0.60) KLK5BACE1PSEN1PSEN2APH1B
SCHEMBL5220817 0.91 KLK5 (0.56) KLK5BACE1PSEN1PSEN2APH1B
SCHEMBL5221580 0.90 KLK5 (0.60) KLK5BACE1PSEN1PSEN2APH1B
SCHEMBL5221574 0.90 KLK5 (0.60) KLK5BACE1PSEN1PSEN2APH1B
SCHEMBL5222893 0.89 KLK5 (0.59) KLK5BACE1PSEN1PSEN2APH1B
SCHEMBL5222884 0.89 KLK5 (0.59) KLK5BACE1PSEN1PSEN2APH1B
SCHEMBL6205577 0.89 KLK5 (0.59) KLK5BACE1PSEN1PSEN2APH1B
SCHEMBL5391805 0.87 KLK5 (0.55) KLK5BACE1PSEN1PSEN2APH1B
SCHEMBL5391812 0.87 KLK5 (0.55) KLK5BACE1PSEN1PSEN2APH1B
SCHEMBL5390340 0.87 KLK5 (0.55) KLK5BACE1CTSDBACE2ATM

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