SCHEMBL28815007

SCHEMBL28815007

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

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 1/20 0.36
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA7 P43166 1/20 0.33
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
CTSS P25774 1/20 0.31
CTSK P43235 1/20 0.31
PREP P48147 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
SCHEMBL4939145 0.86 DGAT1 (0.40) DGAT1CA1CA2CA7CYP1A2
SCHEMBL28195825 0.86 DGAT1 (0.40) DGAT1CA1CA2CA7CYP1A2
SCHEMBL9116850 0.86 DGAT1 (0.40) DGAT1CA1CA2CA7CYP1A2
SCHEMBL2330290 0.82 DGAT1 (0.38) DGAT1CA1CA2CA7CYP1A2
SCHEMBL30185755 0.82 DGAT1 (0.38) DGAT1CA1CA2CA7CYP1A2
SCHEMBL25436173 0.82 DGAT1 (0.38) DGAT1CA1CA2CA7CYP1A2
SCHEMBL28772147 0.81 DGAT1 (0.34) DGAT1CYP1A2CYP2D6
SCHEMBL4907419 0.81 DGAT1 (0.36) DGAT1CYP1A2CYP2D6
SCHEMBL28199018 0.81 DGAT1 (0.36) DGAT1CYP1A2CYP2D6
SCHEMBL1536326 0.79 DGAT1 (0.39) DGAT1CYP1A2CYP2D6

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-114891070-A Anthelmintic depsipeptide compounds 勃林格殷格翰动物保健美国公司 2022-08-12 CN disclosed
CN-107835818-B Anthelmintic depsipeptide compounds 勃林格殷格翰动物保健美国公司 2022-04-29 CN disclosed