SCHEMBL17898731

SCHEMBL17898731

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

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.39
F2 P00734 1/20 0.38
F10 P00742 1/20 0.38
PRSS1 P07477 1/20 0.38
NAAA Q02083 2/20 0.38
ALDH1A1 P00352 1/20 0.37
KMT2A Q03164 1/20 0.37
EPHX1 P07099 1/20 0.36
CTSD P07339 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
SCHEMBL17898651 0.87 NAAA (0.40) GAAF2F10PRSS1NAAA
SCHEMBL19084159 0.86 NAAA (0.41) GAANAAAALDH1A1KMT2ACTSD
SCHEMBL19084175 0.85 GAA (0.43) GAAF2F10PRSS1NAAA
SCHEMBL17898784 0.84 GAA (0.44) GAAF2F10PRSS1NAAA
SCHEMBL17898872 0.83 NAAA (0.36) GAAF2F10PRSS1NAAA
SCHEMBL17898745 0.83 GAA (0.35) GAAF2F10PRSS1NAAA
SCHEMBL17898729 0.82 GAA (0.34) GAAF2F10PRSS1NAAA
SCHEMBL17898867 0.82 GAA (0.34) GAAF2F10PRSS1NAAA
SCHEMBL19099041 0.81 GAA (0.46) GAAF2F10PRSS1NAAA
SCHEMBL17245236 0.81 KMT2A (0.40) GAAKMT2A

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