SCHEMBL28969901

SCHEMBL28969901

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

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 4/20 0.48
METAP1 P53582 2/20 0.48
PPID Q08752 1/20 0.36
ALDH1A1 P00352 1/20 0.36
DRD1 P21728 1/20 0.36
MARS1 P56192 4/20 0.36
CTSC P53634 1/20 0.35
SOAT1 P35610 1/20 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
SCHEMBL7762932 0.81 METAP2 (0.50) METAP2METAP1PPIDMARS1CTSC
SCHEMBL7766540 0.81 METAP2 (0.50) METAP2METAP1PPIDMARS1CTSC
SCHEMBL28969923 0.79 DPP4 (0.46) METAP2METAP1ALDH1A1SOAT1
SCHEMBL28969856 0.78 ALDH1A1 (0.43) METAP2METAP1ALDH1A1SOAT1
SCHEMBL28969920 0.78 GNAI3 (0.50)
SCHEMBL113612 0.78 METAP2 (0.53) METAP2METAP1PPIDMARS1
SCHEMBL5443843 0.78 METAP2 (0.53) METAP2METAP1PPIDMARS1
SCHEMBL113611 0.78 METAP2 (0.53) METAP2METAP1PPIDMARS1
SCHEMBL28969889 0.77 ALDH1A1 (0.41) METAP2METAP1ALDH1A1SOAT1
Hydrochloric Acid SCHEMBL2031642 0.76 METAP2 (0.51) METAP2METAP1PPIDMARS1

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