SCHEMBL17898754

SCHEMBL17898754

CC(C)CO[C@@H]1[C@@H](Cc2ccccc2)COCC[C@H](NC(=O)OC(C)(C)C)C(=O)O[C@H]1C

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CTSL P07711 1/20 0.37
CTSS P25774 1/20 0.37
CTSK P43235 1/20 0.37
SCN9A Q15858 3/20 0.36
NAAA Q02083 2/20 0.35
GAA P10253 1/20 0.35
KDM1A O60341 1/20 0.35
MAOB P27338 1/20 0.35
REN P00797 1/20 0.35

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
SCHEMBL17903383 0.94 KMT2A (0.37) KMT2AL3MBTL1CTSLCTSSCTSK
SCHEMBL16605399 0.90 KMT2A (0.41) KMT2AL3MBTL1CTSKSCN9ANAAA
SCHEMBL17426989 0.88 KMT2A (0.44) KMT2AL3MBTL1NAAAGAAKDM1A
SCHEMBL19628393 0.87 KMT2A (0.36) KMT2AL3MBTL1SCN9ANAAA
SCHEMBL17898712 0.86 KDM1A (0.36) KMT2AL3MBTL1CTSLCTSSCTSK
SCHEMBL15370898 0.85 NAAA (0.37) KMT2AL3MBTL1NAAAGAA
SCHEMBL16603743 0.85 GAA (0.36) NAAAGAA
SCHEMBL17898714 0.84 KDM1A (0.36) KMT2AL3MBTL1CTSLCTSSCTSK
SCHEMBL17898912 0.84 GAA (0.40) CTSLCTSSCTSKGAA
SCHEMBL16603880 0.84 SCN9A (0.36) CTSSCTSKSCN9AGAA

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