SCHEMBL19088924

SCHEMBL19088924

COc1ccnc(C(=O)N[C@H]2COCC[C@@H](CCc3ccccc3)[C@H](C)OC2=O)c1O

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 2/20 0.36
PDE4A P27815 1/20 0.36
PDE4B Q07343 1/20 0.36
PDE4C Q08493 1/20 0.36
RIPK1 Q13546 1/20 0.33
NAAA Q02083 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
SCHEMBL19088921 0.93 RIPK1 (0.36) PDE4DPDE4APDE4BPDE4CRIPK1
SCHEMBL19084218 0.89 TAS1R3 (0.37) NAAA
SCHEMBL17428164 0.89 NAAA (0.33) NAAA
SCHEMBL19088927 0.88 TAS1R3 (0.33) PDE4DPDE4APDE4BPDE4CRIPK1
SCHEMBL17417044 0.88 RIPK1 (0.36) PDE4DPDE4APDE4BPDE4CRIPK1
SCHEMBL19089227 0.87 PDE4D (0.34) PDE4DPDE4APDE4BPDE4CRIPK1
SCHEMBL19088918 0.87 PDE4D (0.34) PDE4D
SCHEMBL19091511 0.87 PDE4D (0.38) PDE4DPDE4APDE4BPDE4CNAAA
SCHEMBL19088925 0.87 TAS1R3 (0.31) RIPK1
SCHEMBL19091129 0.86 MERTK (0.35) PDE4DPDE4APDE4BPDE4CNAAA

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