SCHEMBL8779469

SCHEMBL8779469

CCOCCC(c1ccc(OCC)c(OCC)c1)C1NC(=O)c2ccccc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNF P01375 2/20 0.42
PDE4B Q07343 6/20 0.39
PDE4A P27815 5/20 0.39
PDE4C Q08493 5/20 0.39
PDE4D Q08499 5/20 0.39
CYP1A2 P05177 1/20 0.38
ALDH1A1 P00352 2/20 0.38
LMNA P02545 1/20 0.38
GAA P10253 3/20 0.37
MGAM O43451 2/20 0.37
SI P14410 2/20 0.37
MGAM2 Q2M2H8 2/20 0.37
KDM4E B2RXH2 1/20 0.36
PRNP P04156 1/20 0.36
HPGD P15428 1/20 0.36
MAPT P10636 2/20 0.36
GPR174 Q9BXC1 1/20 0.36
PTPRC P08575 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35

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
SCHEMBL8420151 0.90 TNF (0.43) TNFPDE4BPDE4APDE4CPDE4D
SCHEMBL8779459 0.88 TNF (0.45) TNFPDE4BPDE4APDE4CPDE4D
SCHEMBL8777055 0.85 TNF (0.43) TNFPDE4BPDE4APDE4CPDE4D
SCHEMBL8777026 0.84 TNF (0.43) TNFPDE4BPDE4APDE4CPDE4D
SCHEMBL3692514 0.83 PDE4A (0.53) TNFPDE4BPDE4APDE4CPDE4D
SCHEMBL8777030 0.81 TNF (0.40) TNFPDE4BPDE4APDE4CPDE4D
SCHEMBL7846184 0.79 PDE4A (0.60) TNFPDE4BPDE4APDE4CPDE4D
SCHEMBL7836605 0.77 PDE4A (0.50) TNFPDE4BPDE4APDE4CPDE4D
SCHEMBL3697869 0.77 PDE4A (0.52) TNFPDE4BPDE4APDE4CPDE4D
SCHEMBL8779441 0.76 CYP1A2 (0.39) CYP1A2ALDH1A1KDM4EHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0797437-A1 IMMUNOTHERAPEUTIC IMIDES/AMIDES AND THEIR USE FOR REDUCING LEVELS OF TNF$g(a) CELGENE CORPORATION (US) 1997-10-01 EP disclosed
WO-1996020705-A1 IMMUNOTHERAPEUTIC IMIDES/AMIDES AND THEIR USE FOR REDUCING LEVELS OF TNF$g(a) CELGENE CORPORATION (US) 1996-07-11 WO disclosed