SCHEMBL17898649

SCHEMBL17898649

CCCCO[C@H]1CCOC[C@H](NC(=O)OC(C)(C)C)C(=O)O[C@@H](C)[C@@H]1O

nearest known ligand 0.44

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.39
CTSD P07339 2/20 0.39
BACE1 P56817 1/20 0.35
NAAA Q02083 3/20 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
SCHEMBL19091499 0.93 GAA (0.41) GAACTSDBACE1NAAA
SCHEMBL15373771 0.91 GAA (0.41) GAACTSDBACE1NAAA
SCHEMBL19633453 0.87 GAA (0.41) GAACTSDBACE1
SCHEMBL19091107 0.87 GAA (0.43) GAACTSDBACE1NAAA
SCHEMBL17898906 0.87 CTSD (0.37) GAACTSDBACE1NAAA
SCHEMBL17898905 0.85 CTSD (0.39) GAACTSDBACE1NAAA
SCHEMBL17898840 0.83 NAAA (0.40) NAAA
SCHEMBL19091106 0.83 GAA (0.39) GAACTSDBACE1NAAA
SCHEMBL17898648 0.82 BCHE (0.37) GAACTSDBACE1NAAA
SCHEMBL19091637 0.82 GAA (0.41) GAACTSDBACE1NAAA

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