SCHEMBL7748778

SCHEMBL7748778

CCCCOc1cc(C(CC(=O)OC)N2C(=O)c3ccccc3C2=O)ccc1OC

nearest known ligand 0.83

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 8/20 0.83
PDE4B Q07343 8/20 0.83
PDE4C Q08493 8/20 0.83
PDE4D Q08499 8/20 0.83
TNF P01375 14/20 0.80

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
SCHEMBL8007597 0.91 PDE4A (0.82) PDE4APDE4BPDE4CPDE4DTNF
SCHEMBL7746632 0.91 PDE4A (1.00) PDE4APDE4BPDE4CPDE4DTNF
SCHEMBL29441528 0.89 TNF (1.00) PDE4APDE4BPDE4CPDE4DTNF
SCHEMBL6691621 0.89 TNF (1.00) PDE4APDE4BPDE4CPDE4DTNF
SCHEMBL6688721 0.88 TNF (0.82) PDE4APDE4BPDE4CPDE4DTNF
SCHEMBL6692796 0.87 TNF (0.80) PDE4APDE4BPDE4CPDE4DTNF
SCHEMBL6098458 0.85 PDE4A (0.84) PDE4APDE4BPDE4CPDE4DTNF
SCHEMBL15015502 0.85 PDE4A (0.68) PDE4APDE4BPDE4CPDE4DTNF
SCHEMBL1193946 0.85 TNF (0.73) PDE4APDE4BPDE4CPDE4DTNF
SCHEMBL825856 0.85 PDE4A (0.60) 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-6200987-B1 ADMINISTERING AS TUMOR NECROSIS FACTOR INHIBITORS; CACHEXIA, ENDOTOXIN SHOCK; RETROVIRUS VIRICIDES CELGENE CORPORATION 2001-03-13 US disclosed