SCHEMBL28815034

SCHEMBL28815034

CN(C(=O)OC(C)(C)C)C(CC(C)(F)F)C(=O)O

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MMP13 P45452 1/20 0.37
▸ AAK1 Q2M2I8 2/20 0.34
▸ CA14 Q9ULX7 1/20 0.34
▸ MEN1 O00255 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ APLNR P35414 1/20 0.31
▸ HDAC1 Q13547 1/20 0.31
▸ HDAC2 Q92769 1/20 0.31
▸ HDAC6 Q9UBN7 1/20 0.31
▸ CTSK P43235 1/20 0.31

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
SCHEMBL18248032 1.00 MMP13 (0.37) MMP13AAK1CA14MEN1GAA
SCHEMBL18248055 0.90 MMP13 (0.37) MMP13AAK1CA14MEN1GAA
SCHEMBL18248197 0.90 MMP13 (0.37) MMP13AAK1CA14MEN1GAA
SCHEMBL18248003 0.90 MMP13 (0.37) MMP13AAK1CA14MEN1GAA
SCHEMBL68033 0.86 MMP13 (0.38) MMP13AAK1MEN1GAAKMT2A
SCHEMBL68034 0.86 MMP13 (0.38) MMP13AAK1MEN1GAAKMT2A
SCHEMBL23279495 0.86 — —
SCHEMBL18248156 0.85 MMP13 (0.38) MMP13AAK1MEN1GAAKMT2A
SCHEMBL20586574 0.85 MMP13 (0.38) MMP13AAK1MEN1GAAKMT2A
SCHEMBL30916076 0.84 AAK1 (0.36) MMP13AAK1CA14CTSK

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
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