SCHEMBL7847569

SCHEMBL7847569

CCOc1cc(C(CC(=O)NOCc2ccccc2)N2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)ccc1OC.CCOc1cc(C(CC(=O)NOCc2ccccc2)N2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)ccc1OC

nearest known ligand 0.63

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TNF P01375 12/20 0.63
PDE4A P27815 10/20 0.59
PDE4B Q07343 10/20 0.59
PDE4C Q08493 10/20 0.59
PDE4D Q08499 10/20 0.59

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
SCHEMBL6095763 1.00 TNF (0.63) TNFPDE4APDE4BPDE4CPDE4D
SCHEMBL825636 0.90 PDE4A (0.72) TNFPDE4APDE4BPDE4CPDE4D
SCHEMBL825963 0.87 TNF (0.66) TNFPDE4APDE4BPDE4CPDE4D
SCHEMBL6099935 0.85 PDE4A (0.74) TNFPDE4APDE4BPDE4CPDE4D
SCHEMBL7741527 0.85 TNF (0.88) TNFPDE4APDE4BPDE4CPDE4D
SCHEMBL6100831 0.83 PDE4A (0.58) TNFPDE4APDE4BPDE4CPDE4D
SCHEMBL7746332 0.81 TNF (0.81) TNFPDE4APDE4BPDE4CPDE4D
SCHEMBL23392622 0.78 PDE4A (0.66) TNFPDE4APDE4BPDE4CPDE4D
SCHEMBL1193475 0.77 TP53 (0.64) PDE4APDE4BPDE4CPDE4D
SCHEMBL1194579 0.77 PDE4B (0.74) TNFPDE4APDE4BPDE4CPDE4D

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-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