SCHEMBL5224403

SCHEMBL5224403

CCN(CC)c1cc(C(=O)O)cc(N2CCCCS2(=O)=O)c1C

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.45
CTSD P07339 1/20 0.36
BACE1 P56817 1/20 0.36
BACE2 Q9Y5Z0 1/20 0.36
TP53 P04637 4/20 0.35
HCAR3 P49019 1/20 0.33
PTGER1 P34995 1/20 0.33
CDK1 P06493 1/20 0.33
CDK2 P24941 1/20 0.33
PIK3C3 Q8NEB9 1/20 0.32
LDHA P00338 1/20 0.32

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
SCHEMBL5224401 0.88 POLB (0.35) POLBTP53HCAR3
SCHEMBL5219941 0.88 POLB (0.37) POLBCTSDBACE1BACE2TP53
SCHEMBL5219490 0.80 BACE1 (0.50) POLBCTSDBACE1BACE2TP53
SCHEMBL5219935 0.76 ALDH1A1 (0.34)
SCHEMBL5219825 0.76 BACE1 (0.47) POLBCTSDBACE1BACE2TP53
SCHEMBL5224504 0.73 POLB (0.46) POLBCTSDBACE1BACE2TP53
SCHEMBL5217621 0.72 POLB (0.43) POLBCTSDBACE1BACE2TP53
SCHEMBL5218338 0.70 POLB (0.46) POLBCTSDBACE1BACE2TP53
SCHEMBL5223919 0.70 POLB (0.44) POLBCTSDBACE1BACE2TP53
SCHEMBL5218650 0.70 POLB (0.44) POLBCTSDBACE1BACE2TP53

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