SCHEMBL8007597

SCHEMBL8007597

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

nearest known ligand 0.82

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 11/20 0.82
PDE4B Q07343 11/20 0.82
PDE4C Q08493 11/20 0.82
PDE4D Q08499 11/20 0.82
TNF P01375 10/20 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
SCHEMBL6692796 0.96 TNF (0.80) PDE4APDE4BPDE4CPDE4DTNF
SCHEMBL6098458 0.95 PDE4A (0.84) PDE4APDE4BPDE4CPDE4DTNF
SCHEMBL7748778 0.91 PDE4A (0.83) PDE4APDE4BPDE4CPDE4DTNF
SCHEMBL6098481 0.90 PDE4A (1.00) PDE4APDE4BPDE4CPDE4DTNF
SCHEMBL3120500 0.90 PDE4A (1.00) PDE4APDE4BPDE4CPDE4DTNF
SCHEMBL3121844 0.89 TNF (1.00) PDE4APDE4BPDE4CPDE4DTNF
SCHEMBL6691297 0.89 TNF (1.00) PDE4APDE4BPDE4CPDE4DTNF
SCHEMBL6690004 0.89 TNF (1.00) PDE4APDE4BPDE4CPDE4DTNF
SCHEMBL6688721 0.89 TNF (0.82) PDE4APDE4BPDE4CPDE4DTNF
SCHEMBL6692793 0.85 PDE4A (0.89) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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