SCHEMBL20429666

SCHEMBL20429666

CCC1(C)CN(C(=O)OC(C)(C)C)CC1c1ccc(OC)c(OCc2ccccc2)c1

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 8/20 0.48
PDE4A P27815 3/20 0.48
PDE4C Q08493 3/20 0.48
PDE4D Q08499 3/20 0.48
RORC P51449 7/20 0.46
TLR9 Q9NR96 3/20 0.46
TLR7 Q9NYK1 2/20 0.46
CSF1R P07333 1/20 0.45
APP P05067 1/20 0.43

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
SCHEMBL29895375 0.87 PDE4B (0.50) PDE4BPDE4APDE4CPDE4DRORC
SCHEMBL19241609 0.87 PDE4B (0.50) PDE4BPDE4APDE4CPDE4DRORC
SCHEMBL18872922 0.84 APP (0.42) PDE4BPDE4APDE4CPDE4DCSF1R
SCHEMBL17559323 0.80 PDE4B (0.49) PDE4BPDE4APDE4CPDE4DCSF1R
SCHEMBL7384901 0.78 PDE4B (0.66) PDE4BPDE4APDE4CPDE4DCSF1R
SCHEMBL7380651 0.78 PDE4B (0.66) PDE4BPDE4APDE4CPDE4DCSF1R
SCHEMBL5368892 0.78 PDE4B (0.66) PDE4BPDE4APDE4CPDE4DCSF1R
SCHEMBL20429759 0.77 PDE4B (0.52) PDE4BPDE4APDE4CPDE4D
SCHEMBL17559322 0.75 PDE4B (0.54) PDE4BPDE4APDE4CPDE4DCSF1R
SCHEMBL3905579 0.75 PDE4B (0.59) PDE4BPDE4APDE4CPDE4DCSF1R

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
EP-3189044-B1 CRYSTALLINE (2S)-3-[(3S,4S)-3-[(1R)-1-HYDROXYETHYL]-4-(4-METHOXY-3-{[1-(5-METHYLPYRIDIN-2-YL)AZETIDIN-3-YL]OXY}PHENYL) -3-METHYLPYRROLIDIN-1-YL]-3-OXOPROPANE-1,2-DIOL LILLY CO ELI (US) 2018-08-01 EP disclosed