SCHEMBL17898650

SCHEMBL17898650

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

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 4/20 0.39
GAA P10253 1/20 0.38
EPHX1 P07099 1/20 0.33
NFKB1 P19838 1/20 0.32
NFKB2 Q00653 1/20 0.32
RELA Q04206 1/20 0.32
F2 P00734 1/20 0.32
F10 P00742 1/20 0.32
PRSS1 P07477 1/20 0.32
REN P00797 1/20 0.32
BTK Q06187 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
SCHEMBL17898717 0.88 NAAA (0.39) NAAAGAANFKB1NFKB2RELA
SCHEMBL16605390 0.88 NAAA (0.37) NAAAGAAEPHX1F2F10
SCHEMBL17898651 0.87 NAAA (0.40) NAAAGAAEPHX1NFKB1NFKB2
SCHEMBL17898720 0.87 NAAA (0.38) NAAAGAAREN
SCHEMBL17898718 0.86 NAAA (0.36) NAAAGAAREN
SCHEMBL17898719 0.86 REN (0.37) NAAAREN
SCHEMBL16605388 0.85 KMT2A (0.38) NAAAREN
SCHEMBL19084175 0.81 GAA (0.43) NAAAGAAEPHX1NFKB1NFKB2
SCHEMBL19099471 0.80 GAA (0.44) NAAAGAAEPHX1NFKB1NFKB2
SCHEMBL17428258 0.79 GAA (0.43) NAAAGAAEPHX1NFKB1NFKB2

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