SCHEMBL28675119

SCHEMBL28675119

CCOC(=O)NC(=O)CCO

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.46
MGAM O43451 1/20 0.46
SI P14410 1/20 0.46
MGAM2 Q2M2H8 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.40
ALDH1A1 P00352 6/20 0.39
KDM4E B2RXH2 1/20 0.39
NFKB1 P19838 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
NAAA Q02083 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
LMNA P02545 1/20 0.37
HSD17B10 Q99714 1/20 0.37
KMT2A Q03164 1/20 0.37
ALOX15 P16050 1/20 0.36

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
SCHEMBL184487 0.84 HDAC3 (0.46) GAAMGAMSIMGAM2SMN1; SMN2
SCHEMBL1413000 0.81 GAA (0.48) GAAMGAMSIMGAM2SMN1; SMN2
SCHEMBL8989791 0.81 MGLL (0.39) GAAMGAMSIMGAM2SMN1; SMN2
SCHEMBL845247 0.81 ALDH1A1 (0.47) GAAMGAMSIMGAM2SMN1; SMN2
SCHEMBL11275622 0.81 GAA (0.39) GAAMGAMSIMGAM2SMN1; SMN2
SCHEMBL10679239 0.80 GAA (0.61) GAAMGAMSIMGAM2SMN1; SMN2
SCHEMBL9865139 0.79 GAA (0.46) GAAMGAMSIMGAM2SMN1; SMN2
SCHEMBL7713280 0.78 GAA (0.55) GAAMGAMSIMGAM2SMN1; SMN2
SCHEMBL11527633 0.78 HSP90AA1 (0.53) GAAALDH1A1KMT2A
SCHEMBL6644483 0.76 GAA (0.49) GAASMN1; SMN2KDM4EKMT2AALOX15

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113784627-A Aromatic alkylamides and methods of use thereof in taste modulation 国际香料和香精公司 2021-12-10 CN disclosed
CN-113710262-A Scutellaria baicalensis composition and method for taste modulation 国际香料和香精公司 2021-11-26 CN disclosed