SCHEMBL19088919

SCHEMBL19088919

COc1ccnc(C(=O)N[C@H]2COCC[C@@H](CC(C)C)[C@H](C)OC2=O)c1O

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 2/20 0.34
IRAK4 Q9NWZ3 1/20 0.32
TAS1R3 Q7RTX0 3/20 0.32
TAS1R1 Q7RTX1 3/20 0.32
TAS1R2 Q8TE23 1/20 0.32
CTSK P43235 1/20 0.31
TERF2 Q15554 1/20 0.31
PDE10A Q9Y233 1/20 0.31
PDCD1 Q15116 2/20 0.30
CD274 Q9NZQ7 2/20 0.30
CNR1 P21554 1/20 0.30
CNR2 P34972 1/20 0.30
FGFR4 P22455 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
SCHEMBL19088918 0.92 PDE4D (0.34) PDE4DTAS1R3TAS1R1TAS1R2CTSK
SCHEMBL19088927 0.91 TAS1R3 (0.33) PDE4DTAS1R3TAS1R1TAS1R2PDE10A
SCHEMBL19084253 0.89 TAS1R3 (0.35) TAS1R3TAS1R1TAS1R2PDE10A
SCHEMBL19089231 0.89 PDE4D (0.34) PDE4DIRAK4
SCHEMBL17898767 0.88 PDE4D (0.33) PDE4DTAS1R3TAS1R1TAS1R2
SCHEMBL17427115 0.87 PDE4D (0.34) PDE4DTAS1R3TAS1R1TAS1R2CTSK
SCHEMBL19088921 0.87 RIPK1 (0.36) PDE4DTAS1R3TAS1R1TAS1R2
SCHEMBL19091508 0.87 PDE4D (0.33) PDE4DTAS1R3TAS1R1TAS1R2CTSK
SCHEMBL19089225 0.86 PDE4D (0.33) PDE4D
SCHEMBL17898692 0.86 HPGDS (0.30) CTSK

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