SCHEMBL19088921

SCHEMBL19088921

COc1ccnc(C(=O)N[C@H]2COCC[C@@H](Cc3ccccc3)[C@H](C)OC2=O)c1O

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 4/20 0.36
TAS1R3 Q7RTX0 3/20 0.33
TAS1R1 Q7RTX1 3/20 0.33
PDE4D Q08499 2/20 0.33
PDE4A P27815 1/20 0.33
PDE4B Q07343 1/20 0.33
PDE4C Q08493 1/20 0.33
TAS1R2 Q8TE23 1/20 0.32
MET P08581 1/20 0.32

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
SCHEMBL17417044 0.93 RIPK1 (0.36) RIPK1TAS1R3TAS1R1PDE4DPDE4A
SCHEMBL19088924 0.93 PDE4D (0.36) RIPK1PDE4DPDE4APDE4BPDE4C
SCHEMBL17898828 0.92 RIPK1 (0.34) RIPK1TAS1R3TAS1R1PDE4DPDE4A
SCHEMBL17898782 0.90 RIPK1 (0.33) RIPK1
SCHEMBL19084210 0.89 TAS1R3 (0.38) RIPK1TAS1R3TAS1R1TAS1R2
SCHEMBL19088927 0.89 TAS1R3 (0.33) RIPK1TAS1R3TAS1R1PDE4DPDE4A
SCHEMBL19088922 0.89 RIPK1 (0.35) RIPK1PDE4DPDE4APDE4BPDE4C
SCHEMBL17418696 0.89 SHBG (0.33) RIPK1
SCHEMBL17428163 0.89 SHBG (0.33) RIPK1
SCHEMBL17898893 0.88 IGF1R (0.33) RIPK1PDE4DPDE4APDE4BPDE4C

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