SCHEMBL7849110

SCHEMBL7849110

COc1ccc(C(CC(=O)NO)C2NC(=O)c3ccccc32)cc1OC(C)C

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TNF P01375 7/20 0.43
PDE4B Q07343 10/20 0.42
PDE4A P27815 9/20 0.42
PDE4C Q08493 9/20 0.42
PDE4D Q08499 9/20 0.42
MAPT P10636 1/20 0.39
HSD17B10 Q99714 1/20 0.39

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
SCHEMBL825934 0.93 TNF (0.48) TNFPDE4BPDE4APDE4CPDE4D
SCHEMBL7846671 0.90 TNF (0.49) TNFPDE4BPDE4APDE4CPDE4D
SCHEMBL3697869 0.89 PDE4A (0.52) TNFPDE4BPDE4APDE4CPDE4D
SCHEMBL7847357 0.87 TNF (0.46) TNFPDE4BPDE4APDE4CPDE4D
SCHEMBL3693500 0.86 PDE4A (0.56) PDE4BPDE4APDE4CPDE4D
SCHEMBL7856722 0.82 TNF (0.56) TNFPDE4BPDE4APDE4CPDE4D
SCHEMBL7856030 0.82 KMT2A (0.57) MAPT
SCHEMBL3690301 0.81 PDE4A (0.52) TNFPDE4BPDE4APDE4CPDE4D
SCHEMBL8779410 0.79 TNF (0.49) TNFPDE4BPDE4APDE4CPDE4D
SCHEMBL7846184 0.78 PDE4A (0.60) TNFPDE4BPDE4APDE4CPDE4D

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