SCHEMBL6567669

SCHEMBL6567669

COc1ccc(C(CC(=O)O)C2NC(=O)c3ccccc32)cc1OC1CCCC1

nearest known ligand 0.64

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 15/20 0.64
PDE4B Q07343 9/20 0.64
PDE4D Q08499 8/20 0.64
PDE4C Q08493 7/20 0.64
TNF P01375 1/20 0.46

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
SCHEMBL3693500 0.90 PDE4A (0.56) PDE4APDE4BPDE4DPDE4C
SCHEMBL7856722 0.90 TNF (0.56) PDE4APDE4BPDE4DPDE4CTNF
SCHEMBL7846184 0.85 PDE4A (0.60) PDE4APDE4BPDE4DPDE4CTNF
SCHEMBL7846671 0.85 TNF (0.49) PDE4APDE4BPDE4DPDE4CTNF
SCHEMBL7846673 0.83 PDE4B (0.51) PDE4APDE4BPDE4DPDE4CTNF
SCHEMBL4637301 0.81 PDE4A (0.50) PDE4APDE4BPDE4DPDE4C
SCHEMBL3692514 0.80 PDE4A (0.53) PDE4APDE4BPDE4DPDE4CTNF
SCHEMBL825934 0.79 TNF (0.48) PDE4APDE4BPDE4DPDE4CTNF
SCHEMBL4637167 0.78 PDE4A (1.00) PDE4APDE4BPDE4DPDE4CTNF
SCHEMBL8779410 0.78 TNF (0.49) PDE4APDE4BPDE4DPDE4CTNF

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0874819-B1 IMIDES AS PDE III, PDE IV AND TNF INHIBITORS CELGENE CORP (US) 2004-05-26 EP disclosed
EP-1035848-A4 SUBSTITUTED ALKANOHYDROXAMIC ACIDS AND METHOD OF REDUCING TNF-ALPHA LEVELS CELGENE CORP (US) 2001-05-23 EP disclosed
EP-1035848-A1 SUBSTITUTED ALKANOHYDROXAMIC ACIDS AND METHOD OF REDUCING TNF-ALPHA LEVELS CELGENE CORPORATION (US) 2000-09-20 EP disclosed
WO-1999006041-A1 SUBSTITUTED ALKANOHYDROXAMIC ACIDS AND METHOD OF REDUCING TNFα LEVELS CELGENE CORPORATION (US) 1999-02-11 WO disclosed
US-5728844-A INHIBITORS OF TUMOR NECROSIS AND PHOSPHODIESTERASE CELGENE CORPORATION (US) 1998-03-17 US disclosed