SCHEMBL694628

SCHEMBL694628

CCOc1cc(C(CC(=O)N(C)C)N2Cc3cccc(NC(=O)C4CC4)c3C2=O)ccc1OC

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 14/20 0.49
PDE4C Q08493 14/20 0.49
PDE4A P27815 9/20 0.49
PDE4D Q08499 9/20 0.49
TP53 P04637 1/20 0.48
HTR2B P41595 1/20 0.46
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
TSHR P16473 1/20 0.42
MAPK1 P28482 1/20 0.42

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
SCHEMBL537241 1.00 PDE4B (0.49) PDE4BPDE4CPDE4APDE4DTP53
SCHEMBL3551536 0.92 PDE4B (0.52) PDE4BPDE4CPDE4APDE4DTP53
SCHEMBL13002994 0.92 PDE4B (0.51) PDE4BPDE4CPDE4APDE4DTP53
SCHEMBL5511996 0.92 PDE4B (0.51) PDE4BPDE4CPDE4APDE4DTP53
SCHEMBL1143603 0.92 TP53 (0.41) PDE4BPDE4CPDE4APDE4DTP53
SCHEMBL13165898 0.91 TP53 (0.51) PDE4BPDE4CPDE4APDE4DTP53
SCHEMBL1384576 0.91 TP53 (0.51) PDE4BPDE4CPDE4APDE4DTP53
SCHEMBL2465157 0.91 PDE4B (0.51) PDE4BPDE4CPDE4APDE4DTP53
SCHEMBL537211 0.91 PDE4B (0.59) PDE4BPDE4CPDE4APDE4DTP53
SCHEMBL8288776 0.91 PDE4B (0.51) PDE4BPDE4CPDE4APDE4DTP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1228071-B1 PHARMACEUTICALLY ACTIVE ISOINDOLINE DERIVATIVES CELGENE CORP (US) 2007-03-28 EP claimed
EP-1228071-B8 PHARMACEUTICALLY ACTIVE ISOINDOLINE DERIVATIVES CELGENE CORP (US) 2012-02-29 EP disclosed
EP-2255801-A1 Pharmaceutically active isoindoline derivatives CELGENE CORPORATION (US) 2010-12-01 EP disclosed
EP-1228071-A4 PHARMACEUTICALLY ACTIVE ISOINDOLINE DERIVATIVES CELGENE CORP (US) 2002-12-04 EP disclosed
EP-1228071-A1 PHARMACEUTICALLY ACTIVE ISOINDOLINE DERIVATIVES CELGENE CORPORATION (US) 2002-08-07 EP disclosed
WO-2001034606-A1 PHARMACEUTICALLY ACTIVE ISOINDOLINE DERIVATIVES CELGENE CORPORATION (US) 2001-05-17 WO disclosed