SCHEMBL17898720

SCHEMBL17898720

CC(C)C(=O)O[C@@H]1[C@@H](CC2CCCC2)CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)O[C@H]1C

nearest known ligand 0.41

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 2/20 0.38
GAA P10253 1/20 0.35
BACE1 P56817 3/20 0.32
REN P00797 4/20 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
SCHEMBL17898872 0.89 NAAA (0.36) NAAAGAABACE1
SCHEMBL17898650 0.87 NAAA (0.39) NAAAGAAREN
SCHEMBL17898802 0.85 BACE1 (0.40) NAAABACE1
SCHEMBL15363832 0.84 NAAA (0.39) NAAAGAAREN
SCHEMBL15363828 0.84 NAAA (0.39) NAAAGAAREN
SCHEMBL17898717 0.84 NAAA (0.39) NAAAGAAREN
SCHEMBL16605390 0.84 NAAA (0.37) NAAAGAAREN
SCHEMBL17898651 0.83 NAAA (0.40) NAAAGAAREN
SCHEMBL17898718 0.82 NAAA (0.36) NAAAGAAREN
SCHEMBL19099668 0.82 GAA (0.40) NAAAGAA

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
WO-2016109291-A1 USE OF MACROCYCLIC PICOLINAMIDES AS FUNGICIDES DOW AGROSCIENCES LLC (US) 2016-07-07 WO disclosed
WO-2016109290-A1 MACROCYCLIC PICOLINAMIDE COMPOUNDS WITH FUNGICIDAL ACTIVITY DOW AGROSCIENCES LLC (US) 2016-07-07 WO disclosed