SCHEMBL7437416

SCHEMBL7437416

CCOCCC(c1ccc(OC)c(OCC)c1)N1C(=O)c2ccccc2C1=O

nearest known ligand 0.70

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 14/20 0.70
PDE4B Q07343 14/20 0.70
PDE4C Q08493 14/20 0.70
PDE4D Q08499 14/20 0.70
TNF P01375 8/20 0.65

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
SCHEMBL7434917 0.94 TNF (0.72) PDE4APDE4BPDE4CPDE4DTNF
SCHEMBL7432935 0.94 TNF (0.67) PDE4APDE4BPDE4CPDE4DTNF
SCHEMBL7432712 0.92 PDE4A (0.71) PDE4APDE4BPDE4CPDE4DTNF
SCHEMBL7433895 0.91 PDE4A (0.67) PDE4APDE4BPDE4CPDE4DTNF
SCHEMBL7445922 0.88 TNF (0.84) PDE4APDE4BPDE4CPDE4DTNF
SCHEMBL7436772 0.87 TNF (0.67) PDE4APDE4BPDE4CPDE4DTNF
SCHEMBL9977580 0.85 PDE4A (0.78) PDE4APDE4BPDE4CPDE4DTNF
SCHEMBL9977550 0.85 PDE4A (0.78) PDE4APDE4BPDE4CPDE4DTNF
SCHEMBL7432606 0.83 TNF (0.77) PDE4APDE4BPDE4CPDE4DTNF
SCHEMBL6287556 0.83 TNF (0.71) 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
EP-0942902-A2 NOVEL IMMUNOTHERAPEUTIC IMIDES/AMIDES CELGENE CORPORATION (US) 1999-09-22 EP disclosed
WO-1998024763-A2 IMMUNOTHERAPEUTIC IMIDES/AMIDES AS PDE IV AND TNF INHIBITORS CELGENE CORPORATION (US) 1998-06-11 WO disclosed
US-5703098-A INHIBITORS OF CYTOKINES INCLUDING TUMOR NECROSIS FACTOR CELGENE CORPORATION (US) 1997-12-30 US disclosed