SCHEMBL6818669

SCHEMBL6818669

COC(=O)N(C)C(=O)C[C@H](NC(=O)c1ccc(OC)c(OC2CCCC2)c1)C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 16/20 0.57
PDE4A P27815 14/20 0.57
PDE4B Q07343 14/20 0.57
PDE4C Q08493 14/20 0.57
PDE5A O76074 3/20 0.50
EPHX2 P34913 1/20 0.49
PDE1A P54750 1/20 0.48
PDE1B Q01064 1/20 0.48
PDE1C Q14123 1/20 0.48

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
SCHEMBL8342920 0.81 PDE4D (0.62) PDE4DPDE4APDE4BPDE4CPDE5A
SCHEMBL7450501 0.78 PDE4D (0.75) PDE4DPDE4APDE4BPDE4CPDE5A
SCHEMBL7424332 0.77 PDE4D (0.60) PDE4DPDE4APDE4BPDE4CPDE5A
SCHEMBL7424626 0.76 PDE4A (0.66) PDE4DPDE4APDE4BPDE4CEPHX2
SCHEMBL8323597 0.76 PDE4A (0.66) PDE4DPDE4APDE4BPDE4CEPHX2
SCHEMBL7422814 0.76 PDE4A (0.59) PDE4DPDE4APDE4BPDE4CPDE5A
SCHEMBL202816 0.75 PDE4D (0.74) PDE4DPDE4APDE4BPDE4CPDE5A
SCHEMBL7512973 0.75 PDE4D (0.74) PDE4DPDE4APDE4BPDE4CPDE5A
SCHEMBL7568142 0.75 PDE4D (0.64) PDE4DPDE4APDE4BPDE4CPDE5A
SCHEMBL6818677 0.74 PDE4D (0.61) PDE4DPDE4APDE4BPDE4CPDE5A

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-2004022536-A1 NEW HETEROCYCLIC AMIDE COMPOUNDS USEFUL FOR THE TREATMENT OF INFLAMMATORY AND ALLERGIC DISORDERS: PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM GLENMARK PHARMACEUTICALS LIMITED (US) 2004-03-18 WO disclosed