SCHEMBL28535462

SCHEMBL28535462

CC(C)(C)OC(=O)C(N)(C(=O)O)C(=O)OC(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 1/20 0.44
ALDH1A1 P00352 1/20 0.35
TSHR P16473 1/20 0.35
GGT1 P19440 1/20 0.31
GRM2 Q14416 1/20 0.30
GRM6 O15303 1/20 0.30

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
SCHEMBL27482953 0.95 DGAT1 (0.44) DGAT1ALDH1A1TSHRGGT1GRM2
SCHEMBL9853436 0.80 CTSS (0.33) DGAT1
SCHEMBL27650114 0.80 DGAT1 (0.34) DGAT1
SCHEMBL1486198 0.80 DGAT1 (0.44) DGAT1ALDH1A1TSHRGGT1GRM2
SCHEMBL27721975 0.80 DGAT1 (0.44) DGAT1ALDH1A1TSHRGGT1GRM2
SCHEMBL27859821 0.80 DGAT1 (0.44) DGAT1ALDH1A1TSHRGGT1GRM2
Hydrogen Peroxide SCHEMBL25411902 0.78 DGAT1 (0.52) DGAT1ALDH1A1TSHR
SCHEMBL1731211 0.78 DGAT1 (0.60) DGAT1
SCHEMBL617762 0.78 DGAT1 (0.43) DGAT1ALDH1A1TSHRGGT1
SCHEMBL27809790 0.76 DGAT1 (0.41) DGAT1ALDH1A1TSHR

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-112375015-A Preparation method of di-tert-butyloxycarbonylaminoacetic acid 安徽昊帆生物有限公司 2021-02-19 CN claimed