SCHEMBL17898808

SCHEMBL17898808

COc1ccc(C[C@H]2CCOC[C@H](NC(=O)OC(C)(C)C)C(=O)O[C@@H](C)[C@@H]2Oc2ccccc2)cc1

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CACNA1G O43497 1/20 0.35
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
PDE2A O00408 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
SCHEMBL17899062 0.92 SCN9A (0.36) KMT2AL3MBTL1GAAKDM1AMAOB
SCHEMBL16605387 0.90 KMT2A (0.38) CACNA1GKMT2AL3MBTL1
SCHEMBL17898811 0.88 GAA (0.38) KMT2AL3MBTL1GAAKDM1AMAOB
SCHEMBL15370900 0.87 KMT2A (0.39) KMT2AL3MBTL1GAAKDM1AMAOB
SCHEMBL19628419 0.84 TP53 (0.34) CACNA1GKMT2AL3MBTL1KDM1AMAOB
SCHEMBL16605405 0.83 KMT2A (0.43) KMT2AL3MBTL1KDM1AMAOB
SCHEMBL17898805 0.83 KMT2A (0.41) KMT2AL3MBTL1KDM1AMAOB
SCHEMBL17903383 0.82 KMT2A (0.37) KMT2AL3MBTL1GAAKDM1AMAOB
SCHEMBL16604080 0.82 KMT2A (0.38) KMT2AL3MBTL1KDM1AMAOB
SCHEMBL16605382 0.81 KMT2A (0.38) KMT2AL3MBTL1KDM1AMAOB

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