SCHEMBL4573106

SCHEMBL4573106

O=Cc1cc2c(C(=O)O)ccc(OC3CCCC3)c2o1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.40
PDE4A P27815 7/20 0.39
PDE4B Q07343 5/20 0.39
PDE4C Q08493 5/20 0.39
PDE4D Q08499 5/20 0.39
FABP4 P15090 2/20 0.37
FABP5 Q01469 2/20 0.37
ADRB1 P08588 2/20 0.36
ADRB3 P13945 2/20 0.36
KMO O15229 5/20 0.35
MKNK1 Q9BUB5 1/20 0.34
MKNK2 Q9HBH9 1/20 0.34

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
SCHEMBL75162 0.87 PDE5A (0.43) PDE4APDE4BPDE4CPDE4D
SCHEMBL72943 0.82 PDE4A (0.43) MAOBPDE4APDE4BPDE4CPDE4D
SCHEMBL8196194 0.78 PDE4B (0.38) PDE4APDE4BPDE4CPDE4D
SCHEMBL74013 0.77 PDE5A (0.40) PDE4APDE4BPDE4CPDE4D
SCHEMBL74012 0.77 PDE5A (0.40) PDE4APDE4BPDE4CPDE4D
SCHEMBL75163 0.76 PDE4A (0.38) MAOBPDE4APDE4BPDE4CPDE4D
SCHEMBL5022607 0.73 CYP19A1 (0.48) MAOBPDE4APDE4BPDE4CPDE4D
SCHEMBL73469 0.72 PDE4A (0.41) MAOBPDE4APDE4BPDE4CPDE4D
SCHEMBL27822307 0.72 FABP4 (0.54) PDE4APDE4BPDE4CPDE4DFABP4
SCHEMBL73468 0.71 PDE5A (0.45) PDE4APDE4BPDE4CPDE4D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008081282-A3 PROCESS FOR THE SYNTHESIS OF N9-(3,5-DICHLORO-4-PYRIDYL)-6- DIFLUOROMETHOXYBENZO(4,5)FURO(3,2-C)PYRIDINE-9-CARBOXAMIDE AND SALTS THEREOF GLENMARK PHARMACEUTICALS SA (CH) 2008-10-23 WO disclosed
WO-2008081282-A2 PROCESS FOR THE SYNTHESIS OF N9-(3,5-DICHLORO-4-PYRIDYL)-6- DIFLUOROMETHOXYBENZO(4,5)FURO(3,2-C)PYRIDINE-9-CARBOXAMIDE AND SALTS THEREOF GLENMARK PHARMACEUTICALS S.A. (US) 2008-07-10 WO disclosed