SCHEMBL14611751

SCHEMBL14611751

COc1ccc([C@@H]2CN(C(=O)CO)C[C@@]2(C)[C@@H](C)O)cc1OCC1CCCO1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 14/20 0.49
PDE4A P27815 4/20 0.44
PDE4C Q08493 4/20 0.44
PDE4D Q08499 4/20 0.44
POLB P06746 1/20 0.41
TSHR P16473 1/20 0.41
PDE7A Q13946 1/20 0.39
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
GAA P10253 1/20 0.39
NPC1 O15118 1/20 0.38
CASP3 P42574 1/20 0.38
RAB9A P51151 1/20 0.38
SENP7 Q9BQF6 1/20 0.38
IRAK4 Q9NWZ3 2/20 0.38

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
SCHEMBL14576431 0.92 PDE4B (0.49) PDE4BPDE4APDE4CPDE4DPOLB
SCHEMBL6722417 0.92 PDE4B (0.49) PDE4BPDE4APDE4CPDE4DPOLB
SCHEMBL5355952 0.92 PDE4B (0.49) PDE4BPDE4APDE4CPDE4DPOLB
SCHEMBL5362999 0.87 PDE4B (0.53) PDE4BPDE4APDE4CPDE4DPDE7A
SCHEMBL5355373 0.85 PDE4B (0.51) PDE4BPDE4APDE4CPDE4DPDE7A
SCHEMBL5355379 0.85 PDE4B (0.51) PDE4BPDE4APDE4CPDE4DPDE7A
SCHEMBL5363470 0.85 PDE4B (0.51) PDE4BPDE4APDE4CPDE4DPDE7A
SCHEMBL5363464 0.85 PDE4B (0.51) PDE4BPDE4APDE4CPDE4DPDE7A
SCHEMBL5363456 0.85 PDE4B (0.51) PDE4BPDE4APDE4CPDE4DPDE7A
SCHEMBL5355370 0.85 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7176229-B2 Cyclic AMP-specific phosphodiesterase inhibitors ICOS CORPORATION (US) 2007-02-13 US disclosed