SCHEMBL7748783

SCHEMBL7748783

CC1CCO1.COC(=O)CC(c1ccc(OC)cc1)N1C(=O)c2ccccc2C1=O

nearest known ligand 0.62

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TNF P01375 14/20 0.62
PDE4A P27815 7/20 0.59
PDE4B Q07343 7/20 0.59
PDE4C Q08493 7/20 0.59
PDE4D Q08499 7/20 0.59
KMT2A Q03164 1/20 0.46
ATM Q13315 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
SCHEMBL6693277 0.89 TNF (0.77) TNFPDE4APDE4BPDE4CPDE4D
SCHEMBL10926667 0.79 TNF (0.71) TNFPDE4APDE4BPDE4CPDE4D
SCHEMBL6693021 0.79 TNF (0.70) TNFPDE4APDE4BPDE4CPDE4D
SCHEMBL28722625 0.79 TNF (0.72) TNFPDE4APDE4BPDE4CPDE4D
SCHEMBL6692623 0.79 TNF (0.72) TNFPDE4APDE4BPDE4CPDE4D
SCHEMBL6693845 0.78 TNF (0.79) TNFPDE4APDE4BPDE4CPDE4D
SCHEMBL7799770 0.78 TNF (0.60) TNFPDE4APDE4BPDE4CPDE4D
SCHEMBL6688763 0.77 TNF (1.00) TNFPDE4APDE4BPDE4CPDE4D
SCHEMBL6693859 0.77 TNF (0.69) TNFPDE4APDE4BPDE4CPDE4D
SCHEMBL5519999 0.76 KMT2A (0.62) KMT2AATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6200987-B1 ADMINISTERING AS TUMOR NECROSIS FACTOR INHIBITORS; CACHEXIA, ENDOTOXIN SHOCK; RETROVIRUS VIRICIDES CELGENE CORPORATION 2001-03-13 US disclosed