SCHEMBL5220119

SCHEMBL5220119

CCn1ccc2c(N3CCCS3(=O)=O)cc(C(=O)O)cc21

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.42
TP53 P04637 6/20 0.36
BACE1 P56817 2/20 0.36
CTSD P07339 1/20 0.36
BACE2 Q9Y5Z0 1/20 0.36
MAPT P10636 1/20 0.35
PTGER1 P34995 2/20 0.34
PIK3C3 Q8NEB9 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CYP19A1 P11511 1/20 0.33
CDK1 P06493 1/20 0.33
CDK2 P24941 1/20 0.33
DRD3 P35462 1/20 0.33

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
SCHEMBL5218338 0.97 POLB (0.46) POLBTP53BACE1CTSDBACE2
SCHEMBL5220117 0.89 BACE1 (0.37) POLBBACE1CTSDBACE2CYP19A1
SCHEMBL5220039 0.88 TP53 (0.39) POLBTP53BACE1CTSDBACE2
SCHEMBL5218348 0.85 BACE1 (0.37) POLBBACE1CTSDBACE2SMN1; SMN2
SCHEMBL5222266 0.85 KDM4E (0.38) POLBTP53BACE1CTSDBACE2
SCHEMBL5219134 0.79 POLB (0.39) POLBTP53BACE1CTSDBACE2
SCHEMBL5222594 0.79 POLB (0.39) POLBTP53BACE1CTSDBACE2
SCHEMBL5389474 0.78 TP53 (0.38) POLBTP53MAPTSMN1; SMN2
SCHEMBL5220034 0.77 BACE1 (0.37) POLBTP53BACE1CTSDBACE2
SCHEMBL5225090 0.77 BACE1 (0.53) BACE1CTSDBACE2

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