SCHEMBL5222586

SCHEMBL5222586

CCn1ncc2c(N3CCCS3(O)O)cc(C(=O)O)cc21

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CTSD P07339 1/20 0.37
BACE1 P56817 1/20 0.37
BACE2 Q9Y5Z0 1/20 0.37
PTGER3 P43115 9/20 0.37
HCAR3 P49019 1/20 0.33
PDE4B Q07343 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
TSHR P16473 1/20 0.31
BLM P54132 1/20 0.31
PMP22 Q01453 1/20 0.31
HTT P42858 1/20 0.31

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
SCHEMBL5222594 0.89 POLB (0.39) CTSDBACE1BACE2PTGER3HCAR3
SCHEMBL5218370 0.88 PTGER3 (0.37) CTSDBACE1BACE2PTGER3PDE4B
SCHEMBL5220117 0.79 BACE1 (0.37) CTSDBACE1BACE2KDM4EALDH1A1
SCHEMBL5218380 0.78 PIK3C3 (0.39) CTSDBACE1BACE2PTGER3PDE4B
SCHEMBL5219279 0.77 CTSD (0.51) CTSDBACE1BACE2PTGER3KDM4E
SCHEMBL5221391 0.77 BACE1 (0.56) CTSDBACE1BACE2
SCHEMBL5219130 0.76 CTSD (0.37) CTSDBACE1BACE2
SCHEMBL5218348 0.76 BACE1 (0.37) CTSDBACE1BACE2KDM4EALDH1A1
SCHEMBL5218440 0.74 BACE1 (0.58) CTSDBACE1BACE2
SCHEMBL5218454 0.74 BACE1 (0.58) CTSDBACE1BACE2

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