SCHEMBL17899005

SCHEMBL17899005

COc1ccnc(C(=O)N[C@H]2COCCC[C@@H](CCC(C)C)[C@H](C)OC2=O)c1OC(C)=O

nearest known ligand 0.33

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 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
SCHEMBL19089230 0.95 PDE4D (0.34) PDE4D
SCHEMBL19084192 0.91 NPC1 (0.32)
SCHEMBL17898767 0.89 PDE4D (0.33) PDE4D
SCHEMBL19089231 0.88 PDE4D (0.34) PDE4D
SCHEMBL17428146 0.87 F2R (0.31)
SCHEMBL19089224 0.87 PDE4D (0.33) PDE4D
SCHEMBL16603812 0.86
SCHEMBL19089232 0.86 RIPK1 (0.32) PDE4D
SCHEMBL19091554 0.85 ESR1 (0.32) PDE4D
SCHEMBL19091552 0.85 ESR1 (0.32) PDE4D

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