SCHEMBL7724846

SCHEMBL7724846

COc1ccc(C(C)c2nc3cc(Cl)cc(CCCO)c3o2)cc1OC1CCCC1

nearest known ligand 0.45

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 18/20 0.45
PDE4D Q08499 2/20 0.40
PDE4B Q07343 2/20 0.40
PDE4C Q08493 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
SCHEMBL7734780 0.83 PDE4A (0.44) PDE4APDE4DPDE4BPDE4C
SCHEMBL7724848 0.81 PDE4B (0.42) PDE4APDE4DPDE4BPDE4C
SCHEMBL7733891 0.81 PDE4A (0.40) PDE4APDE4DPDE4BPDE4C
SCHEMBL7733871 0.76 RECQL (0.41) PDE4APDE4DPDE4BPDE4C
Carbamic Acid SCHEMBL7735372 0.73 PDE4A (0.40) PDE4APDE4DPDE4BPDE4C
SCHEMBL7735218 0.71 PDE4A (0.42) PDE4APDE4DPDE4BPDE4C
SCHEMBL7734797 0.70 NPC1 (0.46)
SCHEMBL7734102 0.69 TSHR (0.43)
SCHEMBL7735374 0.69 PDE4B (0.39) PDE4APDE4DPDE4BPDE4C
SCHEMBL7733932 0.68 PDE4A (0.42) PDE4APDE4DPDE4BPDE4C

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