SCHEMBL13699741

SCHEMBL13699741

CCOc1cc(C(CC#N)N2C(=O)c3ccc(N)cc3C2=O)ccc1OC

nearest known ligand 0.79

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 17/20 0.79
PDE4B Q07343 17/20 0.79
PDE4C Q08493 17/20 0.79
PDE4D Q08499 17/20 0.79
TNF P01375 4/20 0.60

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
SCHEMBL13699904 0.90 PDE4A (0.64) PDE4APDE4BPDE4CPDE4DTNF
SCHEMBL6553133 0.89 PDE4A (1.00) PDE4APDE4BPDE4CPDE4DTNF
SCHEMBL31062863 0.88 PDE4A (0.79) PDE4APDE4BPDE4CPDE4DTNF
SCHEMBL14528950 0.88 TNF (0.64) PDE4APDE4BPDE4CPDE4DTNF
SCHEMBL2462406 0.86 PDE4A (0.58) PDE4APDE4BPDE4CPDE4DTNF
SCHEMBL8269361 0.85 PDE4B (0.71) PDE4APDE4BPDE4CPDE4DTNF
SCHEMBL1566155 0.85 PDE4B (0.81) PDE4APDE4BPDE4CPDE4DTNF
SCHEMBL2992015 0.85 PDE4B (0.80) PDE4APDE4BPDE4CPDE4DTNF
SCHEMBL6555476 0.84 PDE4B (0.80) PDE4APDE4BPDE4CPDE4DTNF
SCHEMBL8266749 0.84 PDE4B (0.70) PDE4APDE4BPDE4CPDE4DTNF

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
US-20090222080-A1 MEDICAL STENT PROVIDED WITH INHIBITORS OF TUMOR NECROSIS FACTOR-ALPHA PICARUS NV SA (LU) 2009-09-03 US disclosed