SCHEMBL5226007

SCHEMBL5226007

CCc1c[nH]c2c(N3CCCS3(=O)=O)cc(C(=O)O)cc12

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.39
TP53 P04637 4/20 0.36
CTSD P07339 1/20 0.34
BACE1 P56817 1/20 0.34
BACE2 Q9Y5Z0 1/20 0.34
F10 P00742 1/20 0.33
MAPT P10636 1/20 0.33
GAA P10253 1/20 0.33
HTR7 P34969 1/20 0.33
PTGER1 P34995 1/20 0.33
CDK1 P06493 3/20 0.32
CDK2 P24941 3/20 0.32
CDK4 P11802 2/20 0.32
PIK3C3 Q8NEB9 2/20 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
SCHEMBL5223919 0.97 POLB (0.44) POLBTP53CTSDBACE1BACE2
SCHEMBL5226004 0.89 CTSD (0.36) POLBCTSDBACE1BACE2HTR7
SCHEMBL5217435 0.87 ALDH1A1 (0.39) POLBTP53MAPTGAA
SCHEMBL5223926 0.85 CTSD (0.36) POLBCTSDBACE1BACE2HTR7
SCHEMBL5225325 0.84 ALDH1A1 (0.39) POLBTP53MAPT
SCHEMBL5220047 0.77 POLB (0.39) POLBTP53CTSDBACE1BACE2
SCHEMBL5379596 0.77 HTR6 (0.38) TP53MAPTGAACDK1CDK2
SCHEMBL5221504 0.77 CTSD (0.51) CTSDBACE1BACE2F10GAA
SCHEMBL5217430 0.76 ALDH1A1 (0.35) POLBTP53CTSDBACE1BACE2
SCHEMBL5220389 0.76 BACE1 (0.55) CTSDBACE1BACE2

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