SCHEMBL11213629

SCHEMBL11213629

COC(=O)CCc1cc(N)c(O)c(OC)c1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 5/20 0.52
NFKB1 P19838 1/20 0.48
NFKB2 Q00653 1/20 0.48
RELA Q04206 1/20 0.48
TNKS2 Q9H2K2 2/20 0.46
OR51E2 Q9H255 1/20 0.46
ALDH1A1 P00352 2/20 0.44
GAA P10253 1/20 0.44
GFER P55789 1/20 0.44
MAPT P10636 1/20 0.44
MET P08581 3/20 0.44
PDE4D Q08499 1/20 0.43
KMT2A Q03164 2/20 0.42
AKR1B1 P15121 1/20 0.42
LTA4H P09960 1/20 0.41
GALR3 O60755 1/20 0.41
TDP1 Q9NUW8 1/20 0.41

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
SCHEMBL490925 0.89 ALOX5 (0.62) ALOX5NFKB1NFKB2RELATNKS2
SCHEMBL11212268 0.87 ALOX5 (0.55) ALOX5NFKB1NFKB2RELATNKS2
SCHEMBL14922486 0.84 GAA (0.50) ALOX5NFKB1NFKB2RELAOR51E2
SCHEMBL11215998 0.84 ALDH1A1 (0.58) ALOX5NFKB1ALDH1A1GAAGFER
SCHEMBL5072092 0.82 TRPV1 (0.54) ALOX5NFKB1NFKB2RELATNKS2
SCHEMBL11214618 0.82 GAA (0.44) ALOX5ALDH1A1GAAGFERMAPT
SCHEMBL28853057 0.82 TRPV1 (0.54) ALOX5NFKB1NFKB2RELATNKS2
SCHEMBL7283109 0.80 ALDH1A1 (0.57) ALOX5OR51E2ALDH1A1GAAGFER
SCHEMBL3949236 0.80 GAA (0.57) ALOX5OR51E2ALDH1A1GAAGFER
SCHEMBL9520560 0.79 GAA (0.61) ALDH1A1GAAGFERMAPTKMT2A

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-0081321-A1 2-Aminophenol derivatives ONO PHARMACEUTICAL CO., LTD. (JP) 1983-06-15 EP disclosed