SCHEMBL17898651

SCHEMBL17898651

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

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 2/20 0.40
GAA P10253 1/20 0.39
F2 P00734 1/20 0.36
F10 P00742 1/20 0.36
PRSS1 P07477 1/20 0.36
REN P00797 5/20 0.34
EPHX1 P07099 1/20 0.34
NFKB1 P19838 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33

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
SCHEMBL17898650 0.87 NAAA (0.39) NAAAGAAF2F10PRSS1
SCHEMBL17898731 0.87 GAA (0.39) NAAAGAAF2F10PRSS1
SCHEMBL19628418 0.84 NAAA (0.39) NAAAGAAF2F10PRSS1
SCHEMBL17898784 0.84 GAA (0.44) NAAAGAAF2F10PRSS1
SCHEMBL17898717 0.84 NAAA (0.39) NAAAGAARENNFKB1NFKB2
SCHEMBL16605390 0.84 NAAA (0.37) NAAAGAAF2F10PRSS1
SCHEMBL17898720 0.83 NAAA (0.38) NAAAGAAREN
SCHEMBL19084175 0.83 GAA (0.43) NAAAGAAF2F10PRSS1
SCHEMBL17898718 0.82 NAAA (0.36) NAAAGAAREN
SCHEMBL17898719 0.81 REN (0.37) NAAAREN

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