SCHEMBL6206259

SCHEMBL6206259

CCOCc1cc(C(=O)O)cc(N2CCCS2(=O)=O)c1

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.49
MAPT P10636 1/20 0.47
TP53 P04637 8/20 0.47
PTGER1 P34995 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.41
BACE1 P56817 5/20 0.38
BACE2 Q9Y5Z0 5/20 0.38
CTSD P07339 4/20 0.38

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
SCHEMBL6823082 0.81 POLB (0.57) POLBTP53PTGER1BACE1BACE2
SCHEMBL8275567 0.81 MAPT (0.59) POLBMAPTTP53PTGER1SMN1; SMN2
SCHEMBL5218622 0.77 POLB (0.60) POLBMAPTTP53PTGER1BACE1
SCHEMBL18767065 0.76 POLB (0.54) POLBMAPTTP53PTGER1SMN1; SMN2
SCHEMBL5900600 0.75 POLB (0.59) POLBMAPTTP53PTGER1SMN1; SMN2
SCHEMBL6826724 0.75 CTSD (0.50) POLBMAPTTP53PTGER1SMN1; SMN2
SCHEMBL3886939 0.73 POLB (0.64) POLBTP53PTGER1BACE1BACE2
SCHEMBL13229564 0.73 POLB (0.60) POLBMAPTTP53PTGER1SMN1; SMN2
SCHEMBL5435268 0.72 TP53 (0.47) POLBMAPTTP53PTGER1SMN1; SMN2
SCHEMBL18767230 0.71 POLB (0.55) POLBMAPTTP53PTGER1BACE1

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-1567488-A1 HYDROXYETHYLAMINE DERIVATIVES FOR THE TREATMENT OF ALZHEIMER'S DISEASE GLAXO GROUP LIMITED (GB) 2005-08-31 EP disclosed
WO-2004050619-A1 HYDROXYETHYLAMINE DERIVATIVES FOR THE TREATMENT OF ALZHEIMER'S DISEASE GLAXO GROUP LIMITED (GB) 2004-06-17 WO disclosed