SCHEMBL4517491

SCHEMBL4517491

COc1ccc([C@@H]2CN(C(O)C=O)C[C@@]2(C)[C@@H](C)O)cc1OCC1CCOC1

nearest known ligand 0.41

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 17/20 0.41
IRAK4 Q9NWZ3 2/20 0.37
PDE4D Q08499 2/20 0.35
PDE4A P27815 1/20 0.35
PDE4C Q08493 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
SCHEMBL4517483 0.84 PDE4B (0.49) PDE4BIRAK4PDE4DPDE4APDE4C
SCHEMBL14577012 0.84 PDE4B (0.49) PDE4BIRAK4PDE4DPDE4APDE4C
SCHEMBL7617153 0.83 PDE4B (0.42) PDE4BPDE4DPDE4APDE4C
SCHEMBL4533418 0.83 PDE4B (0.43) PDE4BPDE4DPDE4APDE4C
SCHEMBL7616352 0.81 EHMT2 (0.42) PDE4BPDE4DPDE4APDE4C
SCHEMBL4533075 0.80 PDE4B (0.42) PDE4B
SCHEMBL7621952 0.79 PDE4B (0.42) PDE4BPDE4DPDE4APDE4C
SCHEMBL4534857 0.78 PDE4B (0.42) PDE4BPDE4DPDE4APDE4C
SCHEMBL4535539 0.76 PDE4B (0.42) PDE4BPDE4DPDE4APDE4C
SCHEMBL7624632 0.76 PDE4B (0.43) PDE4BPDE4DPDE4APDE4C

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
JP-4294903-B2 2009-07-15 JP claimed
JP-2003519135-A 2003-06-17 JP claimed
EP-1242400-A1 PYRROLIDINE DERIVATIVES AS CYCLIC AMP-SPECIFIC PHOSPHODIESTERASE INHIBITORS ICOS CORPORATION (US) 2002-09-25 EP claimed
WO-2001047905-A1 PYRROLIDINE DERIVATIVES AS CYCLIC AMP-SPECIFIC PHOSPHODIESTERASE INHIBITORS ICOS CORPORATION (US) 2001-07-05 WO claimed
EP-1242400-A1 PYRROLIDINE DERIVATIVES AS CYCLIC AMP-SPECIFIC PHOSPHODIESTERASE INHIBITORS ICOS CORPORATION (US) 2002-09-25 EP disclosed
WO-2001047905-A1 PYRROLIDINE DERIVATIVES AS CYCLIC AMP-SPECIFIC PHOSPHODIESTERASE INHIBITORS ICOS CORPORATION (US) 2001-07-05 WO disclosed