SCHEMBL28969872

SCHEMBL28969872

CCOC(=O)ONC(=O)C(N)CC(C)C

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 1/20 0.42
ALDH1A1 P00352 1/20 0.40
SLC1A3 P43003 1/20 0.38
SLC1A2 P43004 1/20 0.38
LARS1 Q9P2J5 1/20 0.38
SOAT1 P35610 1/20 0.38
ANPEP P15144 2/20 0.37
RNPEP Q9H4A4 2/20 0.37
DNPEP Q9ULA0 1/20 0.37
AAK1 Q2M2I8 2/20 0.36
METAP2 P50579 1/20 0.35
METAP1 P53582 1/20 0.35
SCN9A Q15858 3/20 0.35

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
SCHEMBL28969911 0.83 ALDH1A1 (0.40) ALDH1A1SOAT1METAP2METAP1
SCHEMBL28969856 0.82 ALDH1A1 (0.43) ALDH1A1SOAT1METAP2METAP1
SCHEMBL28969882 0.82 ALDH1A1 (0.46) ALDH1A1SOAT1METAP2METAP1
SCHEMBL28969889 0.81 ALDH1A1 (0.41) ALDH1A1SOAT1METAP2METAP1
SCHEMBL28969885 0.79 ALDH1A1 (0.43) SLC7A5ALDH1A1SOAT1METAP2METAP1
SCHEMBL28969853 0.77 ALDH1A1 (0.41) ALDH1A1SOAT1METAP2METAP1
SCHEMBL28969923 0.77 DPP4 (0.46) ALDH1A1SOAT1METAP2METAP1
SCHEMBL28969868 0.76 ALDH1A1 (0.40) ALDH1A1SOAT1METAP2METAP1
SCHEMBL8644895 0.76 METAP2 (0.55) SLC7A5ALDH1A1LARS1METAP2METAP1
SCHEMBL8644894 0.76 METAP2 (0.55) SLC7A5ALDH1A1LARS1METAP2METAP1

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
CN-115835860-A Novel analogues of pterostilbene amino acids with carbonate for the treatment of non-alcoholic fatty liver disease and non-alcoholic steatohepatitis 树顶分子生技股份有限公司 2023-03-21 CN disclosed