Sugi Predict

Sugi Predict / Compounds / SCHEMBL7366317

SCHEMBL7366317

SCHEMBL7366317

COC(=O)CC(C#N)c1ccc(OC)c(OC2CCCC2)c1.COC(=O)CC(CN)c1ccc(OC)c(OC2CCCC2)c1

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ PDE4A P27815 15/20 0.53
▸ PDE4B Q07343 14/20 0.53
▸ PDE4C Q08493 12/20 0.53
▸ PDE4D Q08499 12/20 0.53
▸ PDE5A O76074 1/20 0.42
▸ PDE1A P54750 1/20 0.42
▸ PDE1B Q01064 1/20 0.42
▸ PDE1C Q14123 1/20 0.42
▸ POLB P06746 1/20 0.42

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
SCHEMBL30530004 0.92 PDE4B (0.60) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL7363289 0.92 PDE4B (0.60) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL7363845 0.91 PDE4A (0.61) PDE4APDE4BPDE4CPDE4DPOLB
SCHEMBL7352136 0.82 PDE4A (0.54) PDE4APDE4BPDE4CPDE4D
SCHEMBL8574005 0.82 PDE4A (0.54) PDE4APDE4BPDE4CPDE4D
SCHEMBL7366942 0.82 PDE4A (0.60) PDE4APDE4BPDE4CPDE4DPOLB
SCHEMBL7367621 0.82 PDE4A (0.60) PDE4APDE4BPDE4CPDE4DPOLB
SCHEMBL7365069 0.82 PDE4A (0.60) PDE4APDE4BPDE4CPDE4DPOLB
SCHEMBL8570355 0.80 PDE4A (0.49) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL7358584 0.79 PDE4A (0.53) PDE4APDE4BPDE4CPDE4DPDE5A

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-1992019594-A1 PYRROLIDINONES SMITHKLINE BEECHAM CORPORATION (US) 1992-11-12 — — WO disclosed