SCHEMBL6712901

SCHEMBL6712901

CC(C)(C)OC(=O)NN(CC1CCCCC1)C[C@@H](O)C(N)Cc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CTSD P07339 1/20 0.51
CTSE P14091 1/20 0.51
PGC P20142 1/20 0.51
REN P00797 12/20 0.45
KLK5 Q9Y337 2/20 0.43
BCHE P06276 1/20 0.41
PSEN1 P49768 2/20 0.40
PSEN2 P49810 2/20 0.40
APH1B Q8WW43 2/20 0.40
NCSTN Q92542 2/20 0.40
APH1A Q96BI3 2/20 0.40
PSENEN Q9NZ42 2/20 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
SCHEMBL6444542 1.00 CTSD (0.51) CTSDCTSEPGCRENKLK5
SCHEMBL6442709 1.00 CTSD (0.51) CTSDCTSEPGCRENKLK5
SCHEMBL6442715 1.00 CTSD (0.51) CTSDCTSEPGCRENKLK5
SCHEMBL7408240 0.90 CTSD (0.61) CTSDCTSEPGCRENKLK5
SCHEMBL6449190 0.90 CTSD (0.61) CTSDCTSEPGCRENKLK5
SCHEMBL6449191 0.90 CTSD (0.61) CTSDCTSEPGCRENKLK5
SCHEMBL6710768 0.85 AKT1 (0.49) KLK5PSEN1PSEN2APH1BNCSTN
SCHEMBL6445090 0.85 AKT1 (0.49) KLK5PSEN1PSEN2APH1BNCSTN
SCHEMBL6445086 0.85 AKT1 (0.49) KLK5PSEN1PSEN2APH1BNCSTN
SCHEMBL6443872 0.84 CTSD (0.57) CTSDCTSEPGCRENKLK5

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1392315-A1 METHODS OF TREATING ALZHEIMER'S DISEASE Elan Pharmaceuticals, Inc. (US) 2004-03-03 EP disclosed
WO-2002100410-A1 METHODS OF TREATING ALZHEIMER'S DISEASE ELAN PHARMACEUTICALS, INC. (US) 2002-12-19 WO disclosed