SCHEMBL694925

SCHEMBL694925

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

nearest known ligand 0.59

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 15/20 0.59
PDE4C Q08493 14/20 0.59
PDE4A P27815 10/20 0.59
PDE4D Q08499 10/20 0.59
HTR2B P41595 1/20 0.56
TP53 P04637 1/20 0.50
MEN1 O00255 1/20 0.46
KMT2A Q03164 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
SCHEMBL537211 1.00 PDE4B (0.59) PDE4BPDE4CPDE4APDE4DHTR2B
SCHEMBL8288776 0.93 PDE4B (0.51) PDE4BPDE4CPDE4APDE4DHTR2B
SCHEMBL2465157 0.93 PDE4B (0.51) PDE4BPDE4CPDE4APDE4DHTR2B
SCHEMBL8279948 0.92 PDE4B (0.50) PDE4BPDE4CPDE4APDE4DHTR2B
SCHEMBL537220 0.91 TP53 (0.50) PDE4BPDE4CPDE4APDE4DHTR2B
SCHEMBL1143358 0.91 PDE4B (0.49) PDE4BPDE4CPDE4APDE4DHTR2B
SCHEMBL1582796 0.91 TP53 (0.50) PDE4BPDE4CPDE4APDE4DHTR2B
SCHEMBL694628 0.91 PDE4B (0.49) PDE4BPDE4CPDE4APDE4DHTR2B
SCHEMBL537241 0.91 PDE4B (0.49) PDE4BPDE4CPDE4APDE4DHTR2B
SCHEMBL8279946 0.89 TP53 (0.47) PDE4BPDE4CPDE4APDE4DHTR2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1698334-B1 Pharmaceutically active isoindoline derivatives CELGENE CORP (US) 2011-04-20 EP claimed
WO-2017070291-A1 PDE4 MODULATORS FOR TREATING AND PREVENTING IMMUNE RECONSTITUTION INFLAMMATORY SYNDROME (IRIS) CELGENE CORPORATION (US) 2017-04-27 WO disclosed
US-9138427-B2 Pyrrole inhibitors of S-nitrosoglutathione reductase as therapeutic agents NIVALIS THERAPEUTICS, INC. (US) 2015-09-22 US disclosed
EP-1228071-B8 PHARMACEUTICALLY ACTIVE ISOINDOLINE DERIVATIVES CELGENE CORP (US) 2012-02-29 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