SCHEMBL7746552

SCHEMBL7746552

CCOc1cc(C(CC(N)=O)N2Cc3ccccc3C2=O)ccc1OC

nearest known ligand 0.73

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 6/20 0.71
PDE4B Q07343 6/20 0.71
PDE4C Q08493 6/20 0.71
PDE4D Q08499 6/20 0.71
TP53 P04637 2/20 0.66
TNF P01375 3/20 0.65
MEN1 O00255 2/20 0.61
KMT2A Q03164 2/20 0.61
MAPT P10636 2/20 0.58

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
SCHEMBL9949593 0.96 TNF (0.70) PDE4APDE4BPDE4CPDE4DTP53
SCHEMBL476983 0.93 PDE4A (0.69) PDE4APDE4BPDE4CPDE4DTP53
SCHEMBL717039 0.93 PDE4A (0.69) PDE4APDE4BPDE4CPDE4DTP53
SCHEMBL5941456 0.93 PDE4A (0.69) PDE4APDE4BPDE4CPDE4DTP53
SCHEMBL29840774 0.93 PDE4A (0.69) PDE4APDE4BPDE4CPDE4DTP53
SCHEMBL825731 0.92 TNF (0.66) PDE4APDE4BPDE4CPDE4DTP53
SCHEMBL6099978 0.92 PDE4A (0.71) PDE4APDE4BPDE4CPDE4DTP53
SCHEMBL825454 0.92 PDE4A (0.71) PDE4APDE4BPDE4CPDE4DTP53
SCHEMBL825982 0.92 TNF (0.60) PDE4APDE4BPDE4CPDE4DTP53
SCHEMBL8436482 0.91 PDE4A (0.70) PDE4APDE4BPDE4CPDE4DTP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6200987-B1 ADMINISTERING AS TUMOR NECROSIS FACTOR INHIBITORS; CACHEXIA, ENDOTOXIN SHOCK; RETROVIRUS VIRICIDES CELGENE CORPORATION 2001-03-13 US disclosed
US-6075041-A TUMOR NECROSIS FACTOR CELGENE CORPORATION (US) 2000-06-13 US disclosed
US-5877200-A Cyclic amides CELGENE CORPORATION (US) 1999-03-02 US disclosed
US-5698579-A INHIBITOR OF TUMOR NECROSIS FACTOR CELGENE CORPORATION (US) 1997-12-16 US disclosed