SCHEMBL17899062

SCHEMBL17899062

C[C@@H]1OC(=O)[C@@H](NC(=O)OC(C)(C)C)COCC[C@H](Cc2ccc(F)cc2)[C@H]1Oc1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 4/20 0.36
KMT2A Q03164 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
GAA P10253 1/20 0.34
KDM1A O60341 1/20 0.34
MAOB P27338 1/20 0.34

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
SCHEMBL17898808 0.92 CACNA1G (0.35) KMT2AL3MBTL1GAAKDM1AMAOB
SCHEMBL16605382 0.90 KMT2A (0.38) SCN9AKMT2AL3MBTL1KDM1AMAOB
SCHEMBL17898811 0.88 GAA (0.38) KMT2AL3MBTL1GAAKDM1AMAOB
SCHEMBL15370900 0.87 KMT2A (0.39) KMT2AL3MBTL1GAAKDM1AMAOB
SCHEMBL17899060 0.86 SCN9A (0.35) SCN9AGAA
SCHEMBL17899061 0.86 SCN9A (0.36) SCN9AGAA
SCHEMBL19628394 0.84 SCN9A (0.37) SCN9AKMT2AL3MBTL1KDM1AMAOB
SCHEMBL17427144 0.84 GAA (0.40) SCN9AKMT2AL3MBTL1GAA
SCHEMBL17898805 0.83 KMT2A (0.41) KMT2AL3MBTL1KDM1AMAOB
SCHEMBL16605405 0.83 KMT2A (0.43) SCN9AKMT2AL3MBTL1KDM1AMAOB

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