SCHEMBL5219490

SCHEMBL5219490

CCNc1cc(C(=O)O)cc(N2CCCCS2(=O)=O)c1C

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 9/20 0.50
BACE2 Q9Y5Z0 9/20 0.50
CTSD P07339 8/20 0.50
POLB P06746 2/20 0.46
PIK3C3 Q8NEB9 2/20 0.37
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
THRB P10828 1/20 0.36
HPGD P15428 1/20 0.36
HTT P42858 1/20 0.36
GFER P55789 1/20 0.36
PLEC Q15149 1/20 0.36
TP53 P04637 4/20 0.36
LMNA P02545 1/20 0.35

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
SCHEMBL5219825 0.96 BACE1 (0.47) BACE1BACE2CTSDPOLBPIK3C3
SCHEMBL5219484 0.89 BACE1 (0.44) BACE1BACE2CTSDPOLBKDM4E
SCHEMBL5218030 0.88 BACE1 (0.47) BACE1BACE2CTSDPOLBPIK3C3
SCHEMBL5220748 0.86 BACE1 (0.52) BACE1BACE2CTSDPOLBKDM4E
SCHEMBL5219833 0.86 BACE1 (0.41) BACE1BACE2CTSDPOLBPIK3C3
SCHEMBL5222480 0.85 CTSD (0.44) BACE1BACE2CTSDPIK3C3KDM4E
SCHEMBL5218053 0.83 CTSD (0.49) BACE1BACE2CTSDPOLBPIK3C3
SCHEMBL5224403 0.80 POLB (0.45) BACE1BACE2CTSDPOLBPIK3C3
SCHEMBL5218025 0.78 BACE1 (0.41) BACE1BACE2CTSDPOLBKDM4E
SCHEMBL5218051 0.77 BACE1 (0.51) BACE1BACE2CTSDPOLBKDM4E

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