SCHEMBL17899064

SCHEMBL17899064

CC[C@H]1CCOC[C@H](NC(=O)OC(C)(C)C)C(=O)O[C@@H](C)[C@@H]1OC(=O)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.36
KMT2A Q03164 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
KDM1A O60341 1/20 0.34
MAOB P27338 1/20 0.34
CTSD P07339 1/20 0.34
BCHE P06276 2/20 0.33
KCNA3 P22001 1/20 0.33
CKS1B P61024 1/20 0.33
SKP1 P63208 1/20 0.33
SKP2 Q13309 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
SCHEMBL17898811 0.88 GAA (0.38) GAAKMT2AL3MBTL1KDM1AMAOB
SCHEMBL15373333 0.86 KMT2A (0.38) GAAKMT2AL3MBTL1BCHE
SCHEMBL17898648 0.85 BCHE (0.37) GAAKMT2AL3MBTL1KDM1AMAOB
SCHEMBL17899063 0.85 GAA (0.39) GAACTSD
SCHEMBL19089218 0.83 GAA (0.46) GAAKMT2AL3MBTL1CTSD
SCHEMBL15373856 0.81 BCHE (0.39) GAACTSDBCHE
SCHEMBL17898835 0.81 OPRK1 (0.34) KMT2ABCHE
SCHEMBL17898809 0.80 GAA (0.39) GAACTSD
SCHEMBL17899036 0.78 ROCK1 (0.31)
SCHEMBL17903383 0.77 KMT2A (0.37) GAAKMT2AL3MBTL1KDM1AMAOB

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