SCHEMBL19089232

SCHEMBL19089232

CC[C@@H]1CCOC[C@H](NC(=O)c2nccc(OC)c2OC(C)=O)C(=O)O[C@H]1C

nearest known ligand 0.32

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 1/20 0.32
ROCK1 Q13464 2/20 0.32
ROCK2 O75116 1/20 0.32
PDE4A P27815 2/20 0.30
PDE4B Q07343 2/20 0.30
PDE4C Q08493 2/20 0.30
PDE4D Q08499 2/20 0.30
PDE10A Q9Y233 1/20 0.30
ADORA2A P29274 1/20 0.30
PDCD1 Q15116 2/20 0.30
CD274 Q9NZQ7 2/20 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
SCHEMBL19089231 0.91 PDE4D (0.34) PDE4D
SCHEMBL19089417 0.91 ROCK1 (0.32) RIPK1ROCK1ROCK2PDE10A
SCHEMBL19089230 0.90 PDE4D (0.34) RIPK1PDE4D
SCHEMBL19088922 0.90 RIPK1 (0.35) RIPK1ROCK1ROCK2PDE4APDE4B
SCHEMBL17898781 0.88 ROCK1 (0.32) RIPK1ROCK1
SCHEMBL19088927 0.88 TAS1R3 (0.33) RIPK1ROCK1ROCK2PDE4APDE4B
SCHEMBL17899005 0.86 PDE4D (0.33) PDE4D
SCHEMBL19091646 0.85 PDE4A (0.31) RIPK1PDE4APDE4BPDE4CPDE4D
SCHEMBL17427151 0.85 RIPK1 (0.35) RIPK1PDE4APDE4BPDE4CPDE4D
SCHEMBL19091645 0.85 ADORA2A (0.31) ADORA2A

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