SCHEMBL6186786

SCHEMBL6186786

CCOC(=O)c1cc(SCC)cc(N2CCCS2(=O)=O)c1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.43
TP53 P04637 7/20 0.43
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA7 P43166 1/20 0.40
CA9 Q16790 1/20 0.40
CA14 Q9ULX7 1/20 0.40
POLB P06746 1/20 0.39
ALOX5 P09917 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
PTGER1 P34995 1/20 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
SCHEMBL4833669 0.80 TP53 (0.64) MAPTTP53POLBALOX5SMN1; SMN2
SCHEMBL5220859 0.77 PKM (0.47) MAPTTP53CA12CA1CA2
SCHEMBL1583553 0.73 TP53 (0.52) MAPTTP53POLBSMN1; SMN2
SCHEMBL5396171 0.72 MAPT (0.60) MAPTTP53POLBSMN1; SMN2
SCHEMBL5222204 0.71 TP53 (0.47) MAPTTP53POLBSMN1; SMN2
SCHEMBL475737 0.70 POLB (0.55) MAPTTP53CA1CA2CA7
SCHEMBL18767065 0.69 POLB (0.54) MAPTTP53POLBSMN1; SMN2PTGER1
SCHEMBL5901042 0.69 TP53 (0.48) MAPTTP53POLBSMN1; SMN2PTGER1
SCHEMBL5218797 0.69 NPC1 (0.55) CA12CA1CA2CA7CA9
SCHEMBL8275567 0.69 MAPT (0.59) MAPTTP53POLBSMN1; SMN2PTGER1

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