SCHEMBL9210831

SCHEMBL9210831

CCC/C(CC(=O)OCC)=N\O

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.54
MGAM O43451 1/20 0.54
SI P14410 1/20 0.54
MGAM2 Q2M2H8 1/20 0.54
ALDH1A1 P00352 4/20 0.40
TRPA1 O75762 1/20 0.40
CYP1A2 P05177 1/20 0.39
HDAC3 O15379 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
POLB P06746 2/20 0.36
LMNA P02545 1/20 0.34
HSD17B10 Q99714 1/20 0.34
KMT2A Q03164 2/20 0.34

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
SCHEMBL9210840 1.00 GAA (0.54) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL10369815 0.77 CYP1A2 (0.48) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL9739577 0.76 GAA (0.48) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL11464049 0.74 GAA (0.64) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL21832 0.74 GAA (0.64) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL20924984 0.73 GAA (0.56) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL20912999 0.73 GAA (0.56) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL20912998 0.73 GAA (0.56) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL6115 0.73
SCHEMBL10901590 0.73 ALDH1A1 (0.60) GAAMGAMSIMGAM2ALDH1A1

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
WO-1995001157-A1 USE OF HYDROXYPHENYL OXIMES AS CHELATING PHOTOPROTECTANTS THE PROCTER & GAMBLE COMPANY (US) 1995-01-12 WO disclosed