SCHEMBL4637148

SCHEMBL4637148

COc1ccc(C(N)CC(=O)O)cc1OC1CC2CC1c1ccccc12

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 9/20 0.43
PDE4B Q07343 6/20 0.43
PDE4C Q08493 6/20 0.43
PDE4D Q08499 6/20 0.43
TNF P01375 2/20 0.41
POLB P06746 1/20 0.39
ACHE P22303 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
LMNA P02545 1/20 0.37
GAA P10253 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL4637157 0.91 PDE4A (0.48) PDE4APDE4BPDE4CPDE4DTNF
SCHEMBL4637296 0.82 PDE4A (0.67) PDE4APDE4BPDE4CPDE4DTNF
SCHEMBL4637927 0.79 PDE4B (0.52) PDE4APDE4BPDE4CPDE4DTNF
SCHEMBL4637199 0.79 TNF (0.67) PDE4APDE4BPDE4CPDE4DTNF
SCHEMBL4637277 0.78 PDE4B (0.58) PDE4APDE4BPDE4CPDE4D
SCHEMBL4728355 0.77 PDE4B (0.56) PDE4APDE4BPDE4CPDE4DTNF
SCHEMBL4637250 0.76 PDE4B (0.51) PDE4APDE4BPDE4CPDE4DTNF
SCHEMBL4671897 0.76 ACHE (0.59) PDE4APDE4BPDE4CPDE4DTNF
SCHEMBL30540379 0.76 ACHE (0.59) PDE4APDE4BPDE4CPDE4DTNF
SCHEMBL2991798 0.76 ACHE (0.59) PDE4APDE4BPDE4CPDE4DTNF

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-1468991-B1 Imides as PDE III, PDE IV and TNF inhibitors CELGENE CORP (US) 2008-02-20 EP disclosed
EP-1468991-A1 Imides as PDE III, PDE IV and TNF inhibitors CELGENE CORPORATION (US) 2004-10-20 EP disclosed
EP-0874819-B1 IMIDES AS PDE III, PDE IV AND TNF INHIBITORS CELGENE CORP (US) 2004-05-26 EP disclosed
EP-0874819-A1 IMIDES AS PDE III, PDE IV AND TNF INHIBITORS CELGENE CORPORATION (US) 1998-11-04 EP disclosed
WO-1997023457-A1 IMIDES AS PDE III, PDE IV AND TNF INHIBITORS CELGENE CORPORATION (US) 1997-07-03 WO disclosed