SCHEMBL17899008

SCHEMBL17899008

CCCCO[C@H]1CCOC[C@H](NC(=O)c2nccc(OC)c2OCOC(C)=O)C(=O)O[C@@H](C)[C@@H]1OCc1ccccc1

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.32
CNR2 P34972 7/20 0.32
CNR1 P21554 2/20 0.31
LRRK2 Q5S007 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
SCHEMBL15373802 0.94 MERTK (0.33) NAAACNR2CNR1
SCHEMBL17899006 0.94 LRRK2 (0.32) NAAACNR2CNR1LRRK2
SCHEMBL15373803 0.92 MERTK (0.33) NAAACNR2CNR1
SCHEMBL17898739 0.91 ABCB1 (0.31) CNR2
SCHEMBL19091515 0.90 NAAA (0.33) NAAACNR2CNR1LRRK2
SCHEMBL17898771 0.90 CNR2 (0.31) CNR2
SCHEMBL17903366 0.89 CNR2 (0.32) CNR2
SCHEMBL19091549 0.89 NAAA (0.35) NAAA
SCHEMBL17903365 0.89 CNR2 (0.31) CNR2
SCHEMBL15373807 0.88 MERTK (0.35) NAAACNR2LRRK2

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