SCHEMBL852122

SCHEMBL852122

CCOc1ccc(-c2nc(-c3cccc(OC(=O)O)n3)cs2)cc1OCC

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.74
PDE4B Q07343 1/20 0.74
PDE4C Q08493 1/20 0.74
PDE4D Q08499 1/20 0.74
ALDH1A1 P00352 4/20 0.44
KDM4E B2RXH2 4/20 0.44
MAPT P10636 1/20 0.43
THRB P10828 1/20 0.43
EIF4E P06730 3/20 0.43
MEN1 O00255 1/20 0.42
RAB9A P51151 1/20 0.42
KMT2A Q03164 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
CDC25A P30304 1/20 0.42
CDC25B P30305 1/20 0.42
CDC25C P30307 1/20 0.42
DUSP3 P51452 1/20 0.42
GAA P10253 1/20 0.42
HPGD P15428 1/20 0.42
CYP19A1 P11511 1/20 0.42

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
SCHEMBL8922821 0.87 PDE4A (0.70) PDE4APDE4BPDE4CPDE4DALDH1A1
Tetomilast SCHEMBL29369138 0.85 PDE4A (1.00) PDE4APDE4BPDE4CPDE4DALDH1A1
Tetomilast SCHEMBL436663 0.85 PDE4A (1.00) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL8923733 0.84 PDE4A (0.76) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL8923420 0.82 PDE4A (0.73) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL8922486 0.82 PDE4A (0.71) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL8924903 0.81 PDE4A (0.81) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL7499977 0.81 PDE4A (0.81) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL21653506 0.81 PDE4A (0.81) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL1545319 0.81 PDE4A (0.81) PDE4APDE4BPDE4CPDE4DALDH1A1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2121615-B1 NAPADISYLATE SALT OF 5-(2-{[6-(2,2-DIFLUORO-2-PHENYLETHOXY)HEXYL]AMINO}-1-HYDROXYETHYL)-8-HYDROXYQUINOLIN-2(1H)-ONE AS AGONIST OF THE BETA 2 ADRENERGIC RECEPTOR ALMIRALL SA (ES) 2012-03-28 EP claimed
EP-1411936-B1 USE OF THIAZOLE DERIVATIVES FOR THE MANUFACTURE OF A MEDICAMENT FOR THE TREATMENT OF CHRONIC OBSTRUCTIVE PULMONARY DISEASE OTSUKA PHARMA CO LTD (JP) 2005-09-28 EP claimed
EP-0957915-B1 THIAZOLE DERIVATIVES FOR INHIBITION OF CYTOKINE PRODUCTION AND OF CELL ADHESION OTSUKA PHARMA CO LTD (JP) 2005-02-02 EP claimed