SCHEMBL4034073

SCHEMBL4034073

CCCCC(=O)Nc1ccc2oc3c(OC)ccc(C(=O)Nc4c(Cl)cncc4Cl)c3c2c1

nearest known ligand 0.58

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 17/20 0.58
PDE4B Q07343 16/20 0.58
PDE4A P27815 15/20 0.58
PDE4C Q08493 15/20 0.58
SMN1; SMN2 Q16637 1/20 0.44
GFER P55789 1/20 0.44
PDE11A Q9HCR9 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
SCHEMBL4028104 0.93 PDE4D (0.60) PDE4DPDE4BPDE4APDE4CGFER
SCHEMBL4027733 0.92 PDE4D (0.62) PDE4DPDE4BPDE4APDE4CGFER
SCHEMBL4029599 0.89 PDE4D (0.56) PDE4DPDE4BPDE4APDE4CGFER
SCHEMBL4027952 0.87 PDE4D (0.56) PDE4DPDE4BPDE4APDE4CGFER
SCHEMBL4026196 0.87 PDE4D (0.64) PDE4DPDE4BPDE4APDE4CGFER
SCHEMBL4027688 0.87 PDE4D (0.58) PDE4DPDE4BPDE4APDE4CGFER
SCHEMBL4026328 0.87 PDE4D (0.60) PDE4DPDE4BPDE4APDE4CGFER
SCHEMBL4029849 0.87 PDE4D (0.60) PDE4DPDE4BPDE4APDE4CGFER
SCHEMBL4026016 0.86 PDE4D (0.59) PDE4DPDE4BPDE4APDE4CGFER
SCHEMBL4028521 0.85 PDE4D (0.62) PDE4DPDE4BPDE4APDE4CGFER

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-1620429-B1 NOVEL HETEROCYCLIC COMPOUNDS USEFUL FOR THE TREATMENT OF INFLAMMATORY AND ALLERGIC DISORDERS: PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM GLENMARK PHARMACEUTICALS SA (CH) 2009-04-01 EP claimed