SCHEMBL17898717

SCHEMBL17898717

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

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 3/20 0.39
GAA P10253 1/20 0.35
REN P00797 3/20 0.33
NFKB1 P19838 1/20 0.32
NFKB2 Q00653 1/20 0.32
RELA Q04206 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
SCHEMBL16605390 0.89 NAAA (0.37) NAAAGAAREN
SCHEMBL17898650 0.88 NAAA (0.39) NAAAGAARENNFKB1NFKB2
SCHEMBL17898718 0.87 NAAA (0.36) NAAAGAAREN
SCHEMBL17898719 0.84 REN (0.37) NAAAREN
SCHEMBL17898651 0.84 NAAA (0.40) NAAAGAARENNFKB1NFKB2
SCHEMBL17898720 0.84 NAAA (0.38) NAAAGAAREN
SCHEMBL16605388 0.83 KMT2A (0.38) NAAAREN
SCHEMBL19084175 0.80 GAA (0.43) NAAAGAANFKB1NFKB2RELA
SCHEMBL17898745 0.80 GAA (0.35) NAAAGAA
SCHEMBL17898729 0.79 GAA (0.34) 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