SCHEMBL7616352

SCHEMBL7616352

COc1ccc([C@@H]2CN(C(O)C=O)C[C@@]2(C)[C@@H](C)O)cc1OCCCC1CCCC1

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
EHMT2 Q96KQ7 1/20 0.42
PDE4B Q07343 15/20 0.42
HPGD P15428 2/20 0.40
PDE4A P27815 5/20 0.39
PDE4C Q08493 5/20 0.39
PDE4D Q08499 5/20 0.39
PDE7A Q13946 1/20 0.37
PPARG P37231 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
SCHEMBL4534857 0.85 PDE4B (0.42) PDE4BPDE4APDE4CPDE4DPDE7A
SCHEMBL5357894 0.83 PDE4B (0.50) EHMT2PDE4BHPGDPDE4APDE4C
SCHEMBL7617153 0.83 PDE4B (0.42) PDE4BPDE4APDE4CPDE4DPDE7A
SCHEMBL4533418 0.81 PDE4B (0.43) PDE4BPDE4APDE4CPDE4DPDE7A
SCHEMBL4535539 0.81 PDE4B (0.42) PDE4BPDE4APDE4CPDE4D
SCHEMBL4517491 0.81 PDE4B (0.41) PDE4BPDE4APDE4CPDE4D
SCHEMBL5355529 0.79 PDE4B (0.51) PDE4BPDE4APDE4CPDE4DPDE7A
SCHEMBL5360357 0.79 PDE4B (0.51) PDE4BPDE4APDE4CPDE4DPDE7A
SCHEMBL4526028 0.79 PDE4B (0.42) PDE4BPDE4APDE4CPDE4D
SCHEMBL4533075 0.78 PDE4B (0.42) PDE4B

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