SCHEMBL17898771

SCHEMBL17898771

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

nearest known ligand 0.31

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 4/20 0.31
MAPT P10636 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL15373811 0.94 MAPT (0.31) CNR2MAPTSMN1; SMN2
SCHEMBL17898756 0.94
SCHEMBL17903365 0.92 CNR2 (0.31) CNR2MAPTSMN1; SMN2
SCHEMBL17903366 0.90 CNR2 (0.32) CNR2
SCHEMBL19091285 0.90 PDE4D (0.31)
SCHEMBL17899008 0.90 NAAA (0.32) CNR2
SCHEMBL17898779 0.89
SCHEMBL17903373 0.89 BCL2 (0.31) MAPTSMN1; SMN2
SCHEMBL17898670 0.89
SCHEMBL15373814 0.88 CNR2 (0.31) CNR2

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 1 patent. 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