SCHEMBL6607203

SCHEMBL6607203

COC(=O)c1cccc(/C(C#N)=C/c2cc(OC3CCCC3)c(OC)cn2)c1

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 13/20 0.42
PDE4B Q07343 12/20 0.42
PDE4A P27815 11/20 0.42
PDE4C Q08493 11/20 0.42
PDE5A O76074 3/20 0.42
PDE1A P54750 2/20 0.42
PDE1B Q01064 2/20 0.42
PDE1C Q14123 2/20 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
SCHEMBL6607210 1.00 PDE4D (0.42) PDE4DPDE4BPDE4APDE4CPDE5A
SCHEMBL6609105 0.92 PDE4B (0.53) PDE4DPDE4BPDE4APDE4CPDE5A
SCHEMBL6609100 0.92 PDE4B (0.53) PDE4DPDE4BPDE4APDE4CPDE5A
SCHEMBL6608397 0.89 PDE4B (0.41) PDE4DPDE4BPDE4APDE4C
SCHEMBL6608388 0.89 PDE4B (0.41) PDE4DPDE4BPDE4APDE4C
SCHEMBL6609067 0.88 MAPT (0.44) PDE4DPDE4BPDE4APDE4CPDE5A
SCHEMBL6609065 0.88 MAPT (0.44) PDE4DPDE4BPDE4APDE4CPDE5A
SCHEMBL6605357 0.84 RECQL (0.54) PDE4DPDE4BPDE4APDE4C
SCHEMBL6605351 0.84 RECQL (0.54) PDE4DPDE4BPDE4APDE4C
SCHEMBL6608404 0.83 PDE4D (0.40) PDE4DPDE4BPDE4APDE4CPDE5A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0882714-B1 SUBSTITUTED VINYLPYRIDINE DERIVATIVES AND DRUGS CONTAINING THE SAME SS PHARMACEUTICAL CO (JP) 2004-03-03 EP disclosed
US-5935977-A PHOSPHODIESTERASE IV INHIBITORS, TUMOR NECROSIS FACTOR-ALPHA PRODUCTION INHIBITORS; TREATING INFLAMMATORY AND AUTOIMMUNE DISEASES SS PHARMACEUTICAL CO., LTD. (JP) 1999-08-10 US disclosed
EP-0882714-A1 SUBSTITUTED VINYLPYRIDINE DERIVATIVES AND DRUGS CONTAINING THE SAME SS Pharmaceutical Co., Ltd. (JP) 1998-12-09 EP disclosed