SCHEMBL5225871

SCHEMBL5225871

CC1(NC[C@@H](O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)CCCCC1

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KLK5 Q9Y337 3/20 0.57
PSEN1 P49768 3/20 0.49
PSEN2 P49810 3/20 0.49
APH1B Q8WW43 3/20 0.49
NCSTN Q92542 3/20 0.49
APH1A Q96BI3 3/20 0.49
PSENEN Q9NZ42 3/20 0.49
ATM Q13315 1/20 0.48
APP P05067 1/20 0.48
REN P00797 5/20 0.47
CTSD P07339 2/20 0.46
BACE1 P56817 2/20 0.46
ALDH1A1 P00352 1/20 0.46
CTSS P25774 2/20 0.44
CTSL P07711 1/20 0.44
CTSB P07858 1/20 0.44
CTSK P43235 1/20 0.44

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
SCHEMBL7877924 0.84 KLK5 (0.52) KLK5PSEN1PSEN2APH1BNCSTN
SCHEMBL7309908 0.82 KLK5 (0.65) KLK5PSEN1PSEN2APH1BNCSTN
SCHEMBL5221602 0.81 KLK5 (0.54) KLK5PSEN1PSEN2APH1BNCSTN
SCHEMBL5392060 0.81 KLK5 (0.64) KLK5PSEN1PSEN2APH1BNCSTN
SCHEMBL495922 0.81 KLK5 (0.64) KLK5PSEN1PSEN2APH1BNCSTN
SCHEMBL495921 0.81 KLK5 (0.64) KLK5PSEN1PSEN2APH1BNCSTN
SCHEMBL5392055 0.81 KLK5 (0.64) KLK5PSEN1PSEN2APH1BNCSTN
SCHEMBL5379400 0.81 KLK5 (0.54) KLK5PSEN1PSEN2APH1BNCSTN
SCHEMBL5379391 0.81 KLK5 (0.54) KLK5PSEN1PSEN2APH1BNCSTN
SCHEMBL5379396 0.81 KLK5 (0.54) 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