SCHEMBL16620383

SCHEMBL16620383

Cc1ccc(C[C@H]2COC[C@H](NC(=O)O)C(=O)OC(C)C2OCC(C)C)cc1

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
NAAA Q02083 3/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
CTSL P07711 1/20 0.30
CTSS P25774 1/20 0.30
CTSK P43235 1/20 0.30

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
SCHEMBL16595005 1.00 MEN1 (0.31) MEN1KMT2ANAAAL3MBTL1CTSL
SCHEMBL16603743 0.90 GAA (0.36) NAAA
SCHEMBL15529696 0.85 NAAA (0.38) NAAA
SCHEMBL15366729 0.85 NAAA (0.38) NAAA
SCHEMBL16594337 0.83
SCHEMBL16593841 0.83 SHBG (0.31)
SCHEMBL16603880 0.82 SCN9A (0.36) CTSSCTSK
SCHEMBL15366699 0.82 NAAA (0.38) NAAA
SCHEMBL15530051 0.82 NAAA (0.38) NAAA
SCHEMBL15530464 0.81 NAAA (0.38) NAAA

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3052491-A1 USE OF MACROCYLIC PICOLINAMIDES AS FUNGICIDES Dow AgroSciences LLC (US) 2016-08-10 EP disclosed
EP-3052490-A1 MACROCYCLIC PICOLINAMIDE COMPOUNDS WITH FUNGICIDAL ACTIVITY Dow AgroSciences LLC (US) 2016-08-10 EP disclosed
WO-2015050818-A1 MACROCYCLIC PICOLINAMIDE COMPOUNDS WITH FUNGICIDAL ACTIVITY DOW AGROSCIENCES LLC (US) 2015-04-09 WO disclosed
WO-2015050819-A1 USE OF MACROCYLIC PICOLINAMIDES AS FUNGICIDES DOW AGROSCIENCES LLC (US) 2015-04-09 WO disclosed