SCHEMBL5223919

SCHEMBL5223919

CCc1c[nH]c2c(N3CCCCS3(=O)=O)cc(C(=O)O)cc12

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.44
CTSD P07339 2/20 0.34
BACE1 P56817 2/20 0.34
BACE2 Q9Y5Z0 2/20 0.34
TP53 P04637 2/20 0.34
GAA P10253 1/20 0.32
TSHR P16473 1/20 0.32
HTR7 P34969 1/20 0.32
HRH3 Q9Y5N1 1/20 0.31
F10 P00742 1/20 0.31
MAPT P10636 1/20 0.31
PTGER1 P34995 1/20 0.30

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
SCHEMBL5226007 0.97 POLB (0.39) POLBCTSDBACE1BACE2TP53
SCHEMBL5223926 0.89 CTSD (0.36) POLBCTSDBACE1BACE2TSHR
SCHEMBL5225325 0.87 ALDH1A1 (0.39) POLBTP53MAPT
SCHEMBL5226004 0.85 CTSD (0.36) POLBCTSDBACE1BACE2TSHR
SCHEMBL5217435 0.84 ALDH1A1 (0.39) POLBTP53GAAMAPT
SCHEMBL5221970 0.76 CTSD (0.49) CTSDBACE1BACE2GAATSHR
SCHEMBL5221504 0.76 CTSD (0.51) CTSDBACE1BACE2GAAF10
SCHEMBL5220047 0.74 POLB (0.39) POLBCTSDBACE1BACE2TP53
SCHEMBL5379596 0.74 HTR6 (0.38) TP53GAATSHRHRH3MAPT
SCHEMBL5217430 0.73 ALDH1A1 (0.35) 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