SCHEMBL7746632

SCHEMBL7746632

CCOc1cc(C(CC(=O)OC)N2C(=O)c3ccccc3C2=O)ccc1OC

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 10/20 1.00
PDE4B Q07343 10/20 1.00
PDE4C Q08493 10/20 1.00
PDE4D Q08499 10/20 1.00
TNF P01375 12/20 0.85

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
SCHEMBL29441528 0.92 TNF (1.00) PDE4APDE4BPDE4CPDE4DTNF
SCHEMBL6691621 0.92 TNF (1.00) PDE4APDE4BPDE4CPDE4DTNF
SCHEMBL21215174 0.91 PDE4A (0.85) PDE4APDE4BPDE4CPDE4DTNF
SCHEMBL7748778 0.91 PDE4A (0.83) PDE4APDE4BPDE4CPDE4DTNF
SCHEMBL3120500 0.90 PDE4A (1.00) PDE4APDE4BPDE4CPDE4DTNF
SCHEMBL6554664 0.90 PDE4A (1.00) PDE4APDE4BPDE4CPDE4DTNF
SCHEMBL9977590 0.90 PDE4A (1.00) PDE4APDE4BPDE4CPDE4DTNF
SCHEMBL6098481 0.90 PDE4A (1.00) PDE4APDE4BPDE4CPDE4DTNF
SCHEMBL15015485 0.89 PDE4A (0.81) PDE4APDE4BPDE4CPDE4DTNF
SCHEMBL537314 0.89 PDE4A (0.81) 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