SCHEMBL7617153

SCHEMBL7617153

COc1ccc(C2CN(C(O)C=O)CC2(C)[C@@H](C)O)cc1OCC1C2CCCC21

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 17/20 0.42
PDE4A P27815 5/20 0.38
PDE4C Q08493 5/20 0.38
PDE4D Q08499 5/20 0.38
PDE7A Q13946 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.34
TP53 P04637 1/20 0.34

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
SCHEMBL4533418 0.85 PDE4B (0.43) PDE4BPDE4APDE4CPDE4DPDE7A
SCHEMBL4517491 0.83 PDE4B (0.41) PDE4BPDE4APDE4CPDE4D
SCHEMBL5355373 0.83 PDE4B (0.51) PDE4BPDE4APDE4CPDE4DPDE7A
SCHEMBL5355370 0.83 PDE4B (0.51) PDE4BPDE4APDE4CPDE4DPDE7A
SCHEMBL5355379 0.83 PDE4B (0.51) PDE4BPDE4APDE4CPDE4DPDE7A
SCHEMBL7616352 0.83 EHMT2 (0.42) PDE4BPDE4APDE4CPDE4DPDE7A
SCHEMBL4533075 0.82 PDE4B (0.42) PDE4B
SCHEMBL5363456 0.81 PDE4B (0.51) PDE4BPDE4APDE4CPDE4DPDE7A
SCHEMBL5363470 0.81 PDE4B (0.51) PDE4BPDE4APDE4CPDE4DPDE7A
SCHEMBL5363464 0.81 PDE4B (0.51) PDE4BPDE4APDE4CPDE4DPDE7A

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-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