SCHEMBL20342143

SCHEMBL20342143

CN[C@H](CC(C)=O)CC(=O)C(=O)OC

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.34
TDP1 Q9NUW8 1/20 0.34
MGAM O43451 1/20 0.33
GAA P10253 1/20 0.33
SI P14410 1/20 0.33
MGAM2 Q2M2H8 1/20 0.33

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
SCHEMBL26864406 0.82 ALDH1A1 (0.48) ALDH1A1TDP1MGAMGAASI
SCHEMBL10000224 0.79 MGAM (0.46) ALDH1A1TDP1MGAMGAASI
SCHEMBL20342166 0.74 ALDH1A1 (0.33) ALDH1A1TDP1
SCHEMBL12118194 0.74 ANPEP (0.42) ALDH1A1TDP1
SCHEMBL24115265 0.72 ALDH1A1 (0.39) ALDH1A1TDP1
SCHEMBL25626714 0.72
SCHEMBL26864847 0.71 ALDH1A1 (0.37) ALDH1A1TDP1
SCHEMBL26864716 0.71 ALDH1A1 (0.37) ALDH1A1TDP1
SCHEMBL20342140 0.71 ALDH1A1 (0.37) ALDH1A1TDP1
SCHEMBL26864491 0.71 ALDH1A1 (0.37) ALDH1A1TDP1

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-3342779-A1 INHIBITORS OF TRANSGLUTAMINASES Zedira GmbH (DE) 2018-07-04 EP disclosed