SCHEMBL7724848

SCHEMBL7724848

COc1ccc(CCc2nc3cc(Cl)cc(CCCO)c3o2)cc1OC1CCCC1

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 7/20 0.42
PDE4A P27815 14/20 0.40
RECQL P46063 1/20 0.40
SSTR5 P35346 1/20 0.39
PDE4C Q08493 4/20 0.37
PDE4D Q08499 4/20 0.37

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
SCHEMBL7733891 0.93 PDE4A (0.40) PDE4BPDE4ARECQLSSTR5PDE4C
SCHEMBL7733871 0.88 RECQL (0.41) PDE4BPDE4ARECQLSSTR5PDE4C
SCHEMBL3615395 0.85 PDE4B (0.46) PDE4BPDE4ASSTR5PDE4CPDE4D
Carbamic Acid SCHEMBL7735372 0.84 PDE4A (0.40) PDE4BPDE4ARECQLPDE4CPDE4D
SCHEMBL7735218 0.83 PDE4A (0.42) PDE4BPDE4ASSTR5PDE4CPDE4D
SCHEMBL7734786 0.83 PDE4B (0.41) PDE4BPDE4ARECQLSSTR5PDE4C
SCHEMBL7734102 0.81 TSHR (0.43)
SCHEMBL7724846 0.81 PDE4A (0.45) PDE4BPDE4APDE4CPDE4D
SCHEMBL7735374 0.80 PDE4B (0.39) PDE4BPDE4ASSTR5PDE4CPDE4D
SCHEMBL7733932 0.79 PDE4A (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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6372770-B1 TREATING A MAMMAL SUFFERING FROM A DISEASE STATE SELECTED FROM THE GROUP CONSISTING OF ASTHMA, ALLERGIES, INFLAMMATION, DEPRESSION, DEMENTIA, ATOPIC DISEASES, RHINITIS AND DISEASE STATES ASSOCIATED WITH ABNORMALLY HIGH PHYSIOLOGICAL LEVELS OF EURO-CELTIQUE, S.A. 2002-04-16 US claimed