SCHEMBL19089224

SCHEMBL19089224

COc1ccnc(C(=O)N[C@H]2COCC[C@@H](CCC(C)C)[C@H](C)OC2=O)c1OCOC(C)=O

nearest known ligand 0.33

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 2/20 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
SCHEMBL17427102 0.94 PDE4D (0.33) PDE4D
SCHEMBL19089225 0.93 PDE4D (0.33) PDE4D
SCHEMBL19089230 0.92 PDE4D (0.34) PDE4D
SCHEMBL19089417 0.91 ROCK1 (0.32)
SCHEMBL19084239 0.90 NPC1 (0.31)
SCHEMBL17428060 0.90
SCHEMBL19089227 0.88 PDE4D (0.34) PDE4D
SCHEMBL19091285 0.88 PDE4D (0.31) PDE4D
SCHEMBL17428148 0.88
SCHEMBL19091277 0.88 ROCK1 (0.32)

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-2017116949-A1 MACROCYCLIC PICOLINAMIDES AS FUNGICIDES DOW AGROSCIENCES LLC (US) 2017-07-06 WO disclosed