SCHEMBL7621952

SCHEMBL7621952

COc1ccc([C@@H]2CN(C(O)C(O)C=O)C[C@@]2(C)[C@@H](C)O)cc1OCC1Cc2ccccc2C1

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 17/20 0.42
SGPL1 O95470 1/20 0.33
S1PR1 P21453 1/20 0.33
PDE4A P27815 3/20 0.33
PDE4C Q08493 3/20 0.33
PDE4D Q08499 3/20 0.33
L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL4538043 0.82 PDE4B (0.41) PDE4BPDE4APDE4CPDE4DL3MBTL1
SCHEMBL5356507 0.80 PDE4B (0.65) PDE4BSGPL1S1PR1PDE4APDE4C
SCHEMBL5356498 0.80 PDE4B (0.65) PDE4BSGPL1S1PR1PDE4APDE4C
SCHEMBL4517491 0.79 PDE4B (0.41) PDE4BPDE4APDE4CPDE4D
SCHEMBL4533075 0.77 PDE4B (0.42) PDE4B
SCHEMBL4533418 0.77 PDE4B (0.43) PDE4BPDE4APDE4CPDE4DL3MBTL1
SCHEMBL7617153 0.76 PDE4B (0.42) PDE4BPDE4APDE4CPDE4DL3MBTL1
SCHEMBL4532406 0.76 PDE4B (0.38) PDE4BPDE4APDE4CPDE4D
SCHEMBL4535539 0.74 PDE4B (0.42) PDE4BPDE4APDE4CPDE4D
SCHEMBL7616352 0.73 EHMT2 (0.42) PDE4BPDE4APDE4CPDE4D

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