SCHEMBL5219340

SCHEMBL5219340

COC(=O)c1cccc(N2CC(OC)C([N+](=O)[O-])C2=O)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.49
GRM2 Q14416 1/20 0.45
ALDH1A1 P00352 6/20 0.43
LMNA P02545 1/20 0.43
MAPK1 P28482 1/20 0.43
CTSG P08311 1/20 0.41
CMA1 P23946 1/20 0.41
TP53 P04637 1/20 0.41
HPGD P15428 5/20 0.41
MAPT P10636 2/20 0.41
HSD17B10 Q99714 2/20 0.41
OPRM1 P35372 1/20 0.40
OPRL1 P41146 1/20 0.40
PMM2 O15305 1/20 0.40
MPI P34949 1/20 0.40
RAB9A P51151 1/20 0.40
PHOSPHO1 Q8TCT1 1/20 0.40
TSHR P16473 1/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40

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
SCHEMBL5226071 0.89 GAA (0.51) GAAGRM2ALDH1A1LMNAMAPK1
SCHEMBL5219880 0.81 GAA (0.53) GAAGRM2ALDH1A1LMNAMAPK1
SCHEMBL5218300 0.78 GRM2 (0.50) GAAGRM2ALDH1A1LMNAMAPK1
SCHEMBL4121023 0.76 GAA (0.57) GAAGRM2ALDH1A1LMNAMAPK1
SCHEMBL2623592 0.74 GAA (0.55) GAAGRM2ALDH1A1LMNAMAPK1
SCHEMBL2623576 0.74 GAA (0.55) GAAGRM2ALDH1A1LMNAMAPK1
SCHEMBL5219621 0.73 GAA (0.54) GAAGRM2ALDH1A1LMNAMAPK1
SCHEMBL29040801 0.71 GAA (0.46) GAAGRM2ALDH1A1TP53HPGD
SCHEMBL8549075 0.71 MEN1 (0.66) GAAALDH1A1LMNAHPGDMAPT
SCHEMBL6568249 0.70 GAA (0.56) GAAGRM2ALDH1A1LMNAMAPK1

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