SCHEMBL5220759

SCHEMBL5220759

CCNc1cc(C(=O)O)cc(N2CCCCS2(O)O)c1OC

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 6/20 0.45
BACE2 Q9Y5Z0 5/20 0.45
CTSD P07339 4/20 0.45
PDE4B Q07343 1/20 0.38
PDE4D Q08499 1/20 0.38
GAA P10253 2/20 0.34
MAPT P10636 2/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
THRB P10828 1/20 0.34
HPGD P15428 1/20 0.34
HTT P42858 1/20 0.34
GFER P55789 1/20 0.34
PLEC Q15149 1/20 0.34
HCAR3 P49019 1/20 0.34
POLB P06746 3/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 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
SCHEMBL5218045 0.97 CTSD (0.42) BACE1BACE2CTSDPDE4BPDE4D
SCHEMBL5218055 0.91 CTSD (0.44) BACE1BACE2CTSDPDE4BPDE4D
SCHEMBL5220748 0.89 BACE1 (0.52) BACE1BACE2CTSDPDE4BPDE4D
SCHEMBL5222641 0.88 CTSD (0.41) BACE1BACE2CTSDPDE4BPDE4D
SCHEMBL5218053 0.86 CTSD (0.49) BACE1BACE2CTSDPDE4BPDE4D
SCHEMBL5219484 0.85 BACE1 (0.44) BACE1BACE2CTSDGAAMAPT
SCHEMBL5218643 0.83 DRD2 (0.35) BACE1BACE2CTSDPOLBSMN1; SMN2
SCHEMBL5219833 0.82 BACE1 (0.41) BACE1BACE2CTSDPDE4BPDE4D
SCHEMBL5218051 0.80 BACE1 (0.51) BACE1BACE2CTSDPDE4BPDE4D
SCHEMBL5218025 0.79 BACE1 (0.41) BACE1BACE2CTSDPDE4BPDE4D

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