SCHEMBL5223926

SCHEMBL5223926

CCc1c[nH]c2c(N3CCCCS3(O)O)cc(C(=O)O)cc12

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CTSD P07339 1/20 0.36
BACE1 P56817 1/20 0.36
BACE2 Q9Y5Z0 1/20 0.36
POLB P06746 1/20 0.34
TSHR P16473 1/20 0.32
HTR7 P34969 1/20 0.30

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
SCHEMBL5226004 0.97 CTSD (0.36) CTSDBACE1BACE2POLBTSHR
SCHEMBL5223919 0.89 POLB (0.44) CTSDBACE1BACE2POLBTSHR
SCHEMBL5225333 0.87 ALDH1A1 (0.35) CTSDBACE1BACE2POLB
SCHEMBL5226007 0.85 POLB (0.39) CTSDBACE1BACE2POLBHTR7
SCHEMBL5217430 0.84 ALDH1A1 (0.35) CTSDBACE1BACE2POLB
SCHEMBL6226616 0.77 POLB (0.33) CTSDBACE1BACE2POLB
SCHEMBL5225325 0.77 ALDH1A1 (0.39) POLB
SCHEMBL5221970 0.76 CTSD (0.49) CTSDBACE1BACE2TSHR
SCHEMBL5221504 0.76 CTSD (0.51) CTSDBACE1BACE2
SCHEMBL5379600 0.75 TSHR (0.40) TSHR

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