SCHEMBL19089230

SCHEMBL19089230

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

nearest known ligand 0.34

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 2/20 0.34
CNR1 P21554 1/20 0.30
CNR2 P34972 1/20 0.30
RIPK1 Q13546 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
SCHEMBL17899005 0.95 PDE4D (0.33) PDE4D
SCHEMBL19089231 0.93 PDE4D (0.34) PDE4D
SCHEMBL19089224 0.92 PDE4D (0.33) PDE4D
SCHEMBL19089232 0.90 RIPK1 (0.32) PDE4DRIPK1
SCHEMBL19084192 0.90 NPC1 (0.32)
SCHEMBL19088918 0.89 PDE4D (0.34) PDE4DCNR1CNR2
SCHEMBL17428146 0.87 F2R (0.31)
SCHEMBL19088922 0.87 RIPK1 (0.35) PDE4DRIPK1
SCHEMBL16603810 0.86
SCHEMBL16603812 0.86

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