SCHEMBL6865526

SCHEMBL6865526

COc1ccc(C2CN(C(=O)C(O)CO)CC2(C)C(C)O)cc1OCC#Cc1ccc(C(F)(F)F)cc1

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 15/20 0.57
PDE4A P27815 5/20 0.36
PDE4C Q08493 5/20 0.36
PDE4D Q08499 5/20 0.36
RORC P51449 2/20 0.34
PDE7A Q13946 1/20 0.33
PPARD Q03181 1/20 0.33
PPARA Q07869 1/20 0.33
ACACB O00763 1/20 0.32
AGTR2 P50052 1/20 0.31

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
SCHEMBL4532404 1.00 PDE4B (0.57) PDE4BPDE4APDE4CPDE4DRORC
SCHEMBL5355633 1.00 PDE4B (0.57) PDE4BPDE4APDE4CPDE4DRORC
SCHEMBL5354769 0.94 PDE4B (0.49) PDE4BPDE4APDE4CPDE4DRORC
SCHEMBL4538071 0.90 PDE4B (0.63) PDE4BPDE4APDE4CPDE4DPDE7A
SCHEMBL5355845 0.90 PDE4B (0.63) PDE4BPDE4APDE4CPDE4DPDE7A
SCHEMBL4538042 0.90 PDE4B (0.63) PDE4BPDE4APDE4CPDE4DPDE7A
SCHEMBL5350722 0.90 PDE4B (0.46) PDE4BPDE4APDE4CPDE4DRORC
SCHEMBL5792320 0.89 PDE4B (0.45) PDE4BPDE4APDE4CPDE4DRORC
SCHEMBL5792469 0.89 PDE4B (0.45) PDE4BPDE4APDE4CPDE4DRORC
SCHEMBL5757290 0.89 PDE4B (0.45) PDE4BPDE4APDE4CPDE4DRORC

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-6716871-B2 OBESITY; INFLAMMATORY DISEASES, DISEASES INVOLVING ELEVATED LEVELS OF CYTOKINES, CENTRAL NERVOUS SYSTEM DISORDERS; 3-HYDROXYALKYL-4-DIALKOXYPHENYL-SUBSTITUTED PYRROLIDINES ICOS CORPORATION 2004-04-06 US disclosed