SCHEMBL17899059

SCHEMBL17899059

CO[C@H]1COCC[C@H](NC(=O)OC(C)(C)C)C(=O)O[C@@H](C)[C@@H]1Oc1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.38
KDM1A O60341 1/20 0.38
MAOB P27338 1/20 0.38
KMT2A Q03164 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
EPHX2 P34913 1/20 0.33
KCNA3 P22001 1/20 0.33
NFKB1 P19838 1/20 0.32
NFKB2 Q00653 1/20 0.32
RELA Q04206 1/20 0.32
CKS1B P61024 1/20 0.32
SKP1 P63208 1/20 0.32
SKP2 Q13309 1/20 0.32
LIPG Q9Y5X9 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
SCHEMBL17898879 0.94 GAA (0.39) GAAKDM1AMAOBKMT2AL3MBTL1
SCHEMBL19628412 0.90 GAA (0.41) GAAKDM1AMAOBKMT2AL3MBTL1
SCHEMBL17898871 0.89 GAA (0.39) GAAKDM1AMAOBKMT2AL3MBTL1
SCHEMBL17898914 0.89 GAA (0.35) GAAKDM1AMAOBKMT2AL3MBTL1
SCHEMBL17899057 0.89 GAA (0.35) GAAKDM1AMAOBKMT2AL3MBTL1
SCHEMBL17898714 0.88 KDM1A (0.36) GAAKDM1AMAOBKMT2AL3MBTL1
SCHEMBL17898911 0.87 GAA (0.34) GAAKDM1AMAOBKMT2AL3MBTL1
SCHEMBL17898909 0.87 GAA (0.34) GAAKDM1AMAOBKMT2AL3MBTL1
SCHEMBL17898908 0.87 GAA (0.39) GAAKDM1AMAOBKMT2AL3MBTL1
SCHEMBL17898913 0.86 GAA (0.36) GAAKDM1AMAOBKMT2AL3MBTL1

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-2016109290-A1 MACROCYCLIC PICOLINAMIDE COMPOUNDS WITH FUNGICIDAL ACTIVITY DOW AGROSCIENCES LLC (US) 2016-07-07 WO disclosed
WO-2016109291-A1 USE OF MACROCYCLIC PICOLINAMIDES AS FUNGICIDES DOW AGROSCIENCES LLC (US) 2016-07-07 WO disclosed