SCHEMBL11066780

SCHEMBL11066780

CCOC(=O)C[CH]C(=O)OC

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.52
MGAM O43451 1/20 0.52
SI P14410 1/20 0.52
MGAM2 Q2M2H8 1/20 0.52
ALDH1A1 P00352 4/20 0.43
TRPA1 O75762 1/20 0.43
HCAR2 Q8TDS4 2/20 0.39
KEAP1 Q14145 1/20 0.39
NFE2L2 Q16236 1/20 0.39
NPSR1 Q6W5P4 1/20 0.38
CYP1A2 P05177 1/20 0.38
LMNA P02545 1/20 0.37
HSD17B10 Q99714 1/20 0.37
MAPT P10636 1/20 0.36
ALOX15 P16050 1/20 0.36
SOAT1 P35610 1/20 0.36
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
CA12 O43570 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
SCHEMBL293240 0.86 GAA (0.50) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL5835931 0.83 MGAM (0.46) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL329216 0.81 TSHR (0.46) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL27761598 0.79 GAA (0.48) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL8420342 0.79 HCAR2 (0.47) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL31568721 0.78 GAA (0.52) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL82647 0.77
SCHEMBL10769795 0.76 NR1I2 (0.53) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL8012696 0.76 GAA (0.48) GAAMGAMSIMGAM2ALDH1A1
Hydrochloric Acid SCHEMBL29850352 0.75

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
US-4478848-A Combating fungi with substituted anilinomethylene-oximes BAYER AKTIENGESELLSCHAFT (DE) 1984-10-23 US disclosed