SCHEMBL3834286

SCHEMBL3834286

COc1ccc(C2CC(C)NC2=O)cc1OC

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 6/20 0.54
PDE4B Q07343 4/20 0.54
PDE4C Q08493 4/20 0.54
PDE4D Q08499 4/20 0.54
GFER P55789 1/20 0.50
NR3C1 P04150 1/20 0.47
ALDH1A1 P00352 2/20 0.45
KDM4E B2RXH2 1/20 0.45
MAPT P10636 1/20 0.45
HPGD P15428 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
GAA P10253 1/20 0.44
RAB9A P51151 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
PTAFR P25105 1/20 0.44

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
SCHEMBL3832947 0.73 NR3C1 (0.47) PDE4APDE4BPDE4CPDE4DGFER
SCHEMBL8354029 0.72 GAA (0.58) PDE4APDE4BPDE4CPDE4DGFER
SCHEMBL6813892 0.72 NR3C1 (0.53) PDE4APDE4BPDE4CPDE4DNR3C1
SCHEMBL23003290 0.72 NR3C1 (0.46) PDE4APDE4BPDE4CPDE4DGFER
SCHEMBL9513188 0.70 GFER (0.57) PDE4APDE4BPDE4CPDE4DGFER
SCHEMBL18464323 0.70 NR3C1 (0.47) PDE4APDE4BPDE4CPDE4DGFER
SCHEMBL28645245 0.69 PDE4A (0.56) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL28645243 0.69 PDE4A (0.56) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL30823798 0.69 PDE4A (0.56) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL11702699 0.69 PDE4A (0.54) PDE4APDE4BPDE4CPDE4DGFER

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2102168-A1 ACYLAMINOPYRAZOLES FOR TREATING CARDIOVASCULAR DISEASES Bayer Schering Pharma Aktiengesellschaft (DE) 2009-09-23 EP disclosed
EP-2079708-A2 ACYL AMINOIMIDAZOLES AND ACYL AMINOTHIAZOLES Bayer HealthCare AG (DE) 2009-07-22 EP disclosed
WO-2008046527-A1 ACYLAMINOPYRAZOLES FOR TREATING CARDIOVASCULAR DISEASES BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-04-24 WO disclosed
WO-2008046527-A1 ACYLAMINOPYRAZOLES FOR TREATING CARDIOVASCULAR DISEASES BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-04-24 WO disclosed
WO-2008043533-A2 ACYL AMINOIMIDAZOLES AND ACYL AMINOTHIAZOLES BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-04-17 WO disclosed
WO-2008043533-A2 ACYL AMINOIMIDAZOLES AND ACYL AMINOTHIAZOLES BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-04-17 WO disclosed
WO-2007082666-A1 ACYLAMINOIMIDAZOLES BAYER HEALTHCARE AG (DE) 2007-07-26 WO disclosed
WO-2007082666-A1 ACYLAMINOIMIDAZOLES BAYER HEALTHCARE AG (DE) 2007-07-26 WO disclosed