SCHEMBL7737638

SCHEMBL7737638

COc1ccc(-c2nc3cc(Cl)cc(C#CCN(O)C(=O)OC(C)(C)C)c3o2)cc1OC1CCCC1

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 16/20 0.40
PDE4B Q07343 15/20 0.40
PDE4C Q08493 13/20 0.40
PDE4D Q08499 13/20 0.40
S1PR1 P21453 1/20 0.37
S1PR3 Q99500 1/20 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
SCHEMBL7725317 0.91 PDE4A (0.38) PDE4APDE4BPDE4CPDE4DS1PR1
SCHEMBL7737479 0.84 PDE4A (0.45) PDE4APDE4BPDE4CPDE4DS1PR1
SCHEMBL7735523 0.73 S1PR1 (0.53) PDE4APDE4BPDE4CPDE4DS1PR1
SCHEMBL7733971 0.73 MAPT (0.46)
SCHEMBL7734840 0.70 PDE4A (0.40) PDE4APDE4BPDE4CPDE4D
SCHEMBL7734786 0.69 PDE4B (0.41) PDE4APDE4BPDE4CPDE4D
SCHEMBL7734780 0.69 PDE4A (0.44) PDE4APDE4BPDE4CPDE4D
SCHEMBL7403476 0.63 PDE4A (0.57) PDE4APDE4BPDE4CPDE4DS1PR1
SCHEMBL28333811 0.63 PDE4B (0.47) PDE4APDE4BPDE4CPDE4DS1PR1
SCHEMBL28333810 0.63 PDE4B (0.47) PDE4APDE4BPDE4CPDE4DS1PR1

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 disclosed