SCHEMBL24093706

SCHEMBL24093706

C[C@@H](OC(=O)[C@H](CC(C)(C)F)N(C)C(=O)OC(C)(C)C)C(=O)OCc1cc#ccc1

nearest known ligand 0.32

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ MMP13 P45452 1/20 0.32
▸ AAK1 Q2M2I8 1/20 0.32

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
SCHEMBL24093690 0.85 MMP13 (0.38) MMP13
SCHEMBL18248065 0.85 MMP13 (0.38) MMP13
SCHEMBL18256297 0.85 MMP13 (0.38) MMP13
SCHEMBL22651691 0.83 POLB (0.37) MMP13AAK1
SCHEMBL18248145 0.77 MMP13 (0.39) MMP13
SCHEMBL23269885 0.77 MMP13 (0.39) MMP13
SCHEMBL18248147 0.77 MMP13 (0.39) MMP13
SCHEMBL22502801 0.75 CTSK (0.38) MMP13AAK1
SCHEMBL24093764 0.75 MMP13 (0.38) MMP13
SCHEMBL19088621 0.74 AAK1 (0.34) MMP13AAK1

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
EP-3922639-A1 ANTHELMINTIC DEPSIPEPTIDE COMPOUNDS Boehringer Ingelheim Animal Health USA Inc. (US) 2021-12-15 — — EP disclosed
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