SCHEMBL14611601

SCHEMBL14611601

COc1ccc([C@@H]2CN(C(=O)[C@@H](O)CO)C[C@@]2(C)[C@@H](C)O)cc1OCc1ccccc1

nearest known ligand 0.68

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 12/20 0.68
APP P05067 3/20 0.43
CSF1R P07333 1/20 0.43
PDE4A P27815 2/20 0.43
PDE4C Q08493 2/20 0.43
PDE4D Q08499 2/20 0.43
SMPD1 P17405 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40

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
SCHEMBL14611752 1.00 PDE4B (0.68) PDE4BAPPCSF1RPDE4APDE4C
SCHEMBL17559322 0.90 PDE4B (0.54) PDE4BAPPCSF1RPDE4APDE4C
SCHEMBL14611594 0.88 PDE4B (0.52) PDE4BAPPCSF1RPDE4APDE4C
SCHEMBL14611750 0.87 PDE4B (0.51) PDE4BAPPCSF1RPDE4APDE4C
SCHEMBL14611749 0.87 PDE4B (0.51) PDE4BAPPCSF1RPDE4APDE4C
SCHEMBL4538042 0.86 PDE4B (0.63) PDE4BPDE4APDE4CPDE4D
SCHEMBL4538071 0.86 PDE4B (0.63) PDE4BPDE4APDE4CPDE4D
SCHEMBL5355845 0.86 PDE4B (0.63) PDE4BPDE4APDE4CPDE4D
SCHEMBL5354764 0.86 PDE4B (0.67) PDE4BPDE4APDE4CPDE4D
SCHEMBL5356507 0.85 PDE4B (0.65) 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 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