SCHEMBL5218622

SCHEMBL5218622

CCOc1cc(C(=O)O)cc(N2CCCCS2(=O)=O)c1

nearest known ligand 0.60

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.60
MAPT P10636 1/20 0.55
BACE1 P56817 4/20 0.49
BACE2 Q9Y5Z0 4/20 0.49
CTSD P07339 3/20 0.49
PTGER1 P34995 2/20 0.45
TP53 P04637 3/20 0.43
HPGD P15428 2/20 0.42
KDM4E B2RXH2 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42

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
SCHEMBL8275567 0.96 MAPT (0.59) POLBMAPTBACE1BACE2CTSD
SCHEMBL5225441 0.88 MAPT (0.56) POLBMAPTBACE1BACE2CTSD
SCHEMBL5218631 0.88 POLB (0.44) POLBMAPTBACE1BACE2CTSD
SCHEMBL5396171 0.84 MAPT (0.60) POLBMAPTBACE1BACE2CTSD
SCHEMBL5220214 0.83 POLB (0.60) POLBMAPTBACE1BACE2PTGER1
SCHEMBL3886939 0.79 POLB (0.64) POLBBACE1BACE2PTGER1TP53
SCHEMBL6823082 0.79 POLB (0.57) POLBBACE1BACE2CTSDPTGER1
SCHEMBL13229564 0.79 POLB (0.60) POLBMAPTBACE1BACE2PTGER1
SCHEMBL18767230 0.77 POLB (0.55) POLBMAPTBACE1BACE2CTSD
SCHEMBL6206259 0.77 POLB (0.49) POLBMAPTBACE1BACE2CTSD

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