SCHEMBL5435494

SCHEMBL5435494

COc1cc(S(C)(=O)=O)c(C(Nc2ccc(C(=O)O)cc2)c2cccnc2)cc1OC1CCCC1

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 16/20 0.44
RCE1 Q9Y256 1/20 0.44
PDE4D Q08499 7/20 0.43
PDE4B Q07343 6/20 0.43
PDE4C Q08493 6/20 0.43
ADRB1 P08588 1/20 0.39
ADRB3 P13945 1/20 0.39

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
SCHEMBL5804410 0.92 PDE4A (0.44) PDE4APDE4DPDE4BPDE4C
SCHEMBL2908850 0.89 PDE4A (0.47) PDE4ARCE1PDE4DPDE4BPDE4C
SCHEMBL2908821 0.88 PDE4A (0.46) PDE4ARCE1PDE4DPDE4BPDE4C
SCHEMBL2907341 0.88 PDE4A (0.47) PDE4ARCE1PDE4DPDE4BPDE4C
SCHEMBL2902041 0.81 PDE4A (0.46) PDE4APDE4DPDE4BPDE4CADRB1
SCHEMBL2902818 0.80 PDE4A (0.46) PDE4APDE4DPDE4BPDE4C
SCHEMBL2908318 0.80 PDE4A (0.46) PDE4APDE4DPDE4BPDE4C
SCHEMBL2909562 0.80 RCE1 (0.48) PDE4ARCE1PDE4DPDE4BPDE4C
SCHEMBL6414817 0.74 PDE4A (0.44) PDE4ARCE1PDE4DPDE4BPDE4C
SCHEMBL2902034 0.73 PDE4A (0.44) PDE4ARCE1PDE4DPDE4BPDE4C

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
JP-2007513957-A 2007-05-31 JP claimed
EP-1692109-A2 PHOSPHODIESTERASE 4 INHIBITORS, INCLUDING N-SUBSTITUTED DIARYLAMINE ANALOGS Memory Pharmaceuticals Corporation (US) 2006-08-23 EP claimed
WO-2005061458-A2 PHOSPHODIESTERASE 4 INHIBITORS, INCLUDING N-SUBSTITUTED DIARYLAMINE ANALOGS MEMORY PHARMACEUTICALS CORPORATION (US) 2005-07-07 WO claimed