SCHEMBL20825959

SCHEMBL20825959

CC(CNC(=O)C(COC(C)(C)C)NC=O)OC(C)(C)C

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 1/20 0.33
▸ GRN P28799 1/20 0.31
▸ SORT1 Q99523 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
Fluoride SCHEMBL7158831 0.72 GRN (0.46) MAPK1GRNSORT1
SCHEMBL7158828 0.72 MAPK1 (0.36) MAPK1GRNSORT1
SCHEMBL17291698 0.71 CTSK (0.36) MAPK1GRNSORT1
SCHEMBL14296201 0.65 MEN1 (0.50) —
SCHEMBL23051872 0.64 CTSK (0.38) MAPK1GRNSORT1
SCHEMBL16591504 0.63 MAPK1 (0.40) MAPK1
SCHEMBL13790114 0.63 MAPK1 (0.45) MAPK1GRNSORT1
SCHEMBL19057894 0.63 MEN1 (0.34) GRNSORT1
SCHEMBL1476882 0.63 MAPK1 (0.52) MAPK1
SCHEMBL22861712 0.62 MAPK1 (0.39) MAPK1GRNSORT1

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
WO-2019052545-A1 CYCLIC PEPTIDE ANTIBIOTICS F. HOFFMANN-LA ROCHE AG (CH) 2019-03-21 — — WO disclosed
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