SCHEMBL4526028

SCHEMBL4526028

COc1ccc(C2CN(C(O)C=O)CC2(C)[C@@H](C)O)cc1OCC1(c2ccccc2)CCCC1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 13/20 0.42
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
CHRM5 P08912 2/20 0.36
CHRM1 P11229 2/20 0.36
CHRM3 P20309 2/20 0.36
PDE4A P27815 3/20 0.36
PDE4C Q08493 3/20 0.36
PDE4D Q08499 3/20 0.36
ALDH1A1 P00352 1/20 0.35
L3MBTL1 Q9Y468 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
SCHEMBL4532643 0.89 PDE4B (0.38) PDE4BMEN1KMT2ACHRM5CHRM1
SCHEMBL4522549 0.86 PDE4B (0.39) PDE4BCHRM5CHRM1CHRM3PDE4A
SCHEMBL5357326 0.84 PDE4B (0.50) PDE4BMEN1KMT2ACHRM5CHRM1
SCHEMBL5357323 0.84 PDE4B (0.50) PDE4BMEN1KMT2ACHRM5CHRM1
SCHEMBL4526027 0.84 PDE4B (0.50) PDE4BMEN1KMT2ACHRM5CHRM1
SCHEMBL4533075 0.82 PDE4B (0.42) PDE4B
SCHEMBL4531608 0.81 PDE4B (0.51) PDE4BCHRM5CHRM1CHRM3PDE4A
SCHEMBL4531612 0.81 PDE4B (0.51) PDE4BCHRM5CHRM1CHRM3PDE4A
SCHEMBL4535539 0.81 PDE4B (0.42) PDE4BPDE4APDE4CPDE4D
SCHEMBL5350791 0.81 PDE4B (0.51) PDE4BCHRM5CHRM1CHRM3PDE4A

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 4 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