SCHEMBL24093734

SCHEMBL24093734

CCC(C)OC(=O)[C@H](CC(C)(C)F)N(C)C(=O)OC(C)(C)C

nearest known ligand 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ AAK1 Q2M2I8 2/20 0.33
▸ MMP13 P45452 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
SCHEMBL19088621 0.87 AAK1 (0.34) AAK1MMP13
SCHEMBL26034208 0.85 AAK1 (0.33) AAK1MMP13
SCHEMBL20166246 0.83 NFKB1 (0.35) AAK1MMP13
SCHEMBL18248195 0.81 AAK1 (0.36) AAK1MMP13
SCHEMBL18248194 0.81 AAK1 (0.36) AAK1MMP13
SCHEMBL18248003 0.78 MMP13 (0.37) AAK1MMP13
SCHEMBL19088491 0.78 AAK1 (0.34) AAK1MMP13
SCHEMBL18248055 0.78 MMP13 (0.37) AAK1MMP13
SCHEMBL19088592 0.78 CA14 (0.39) AAK1MMP13
SCHEMBL23279531 0.76 — —

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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