SCHEMBL6609752

SCHEMBL6609752

COc1cnc(C=C(C#N)c2cccc(C(=O)O)c2)cc1OC1Cc2ccccc2C1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 7/20 0.48
PDE4B Q07343 7/20 0.48
PDE4C Q08493 7/20 0.48
PDE4D Q08499 7/20 0.48
POLB P06746 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
KDM4E B2RXH2 2/20 0.42
NPSR1 Q6W5P4 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
GCK P35557 1/20 0.39
MRGPRX4 Q96LA9 1/20 0.37
PTPN7 P35236 1/20 0.36
PTPN12 Q05209 1/20 0.36
PTPN22 Q9Y2R2 1/20 0.36
MAPT P10636 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
LTC4S Q16873 1/20 0.36

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
SCHEMBL6609749 1.00 PDE4A (0.48) PDE4APDE4BPDE4CPDE4DPOLB
SCHEMBL6608397 0.92 PDE4B (0.41) PDE4APDE4BPDE4CPDE4DMEN1
SCHEMBL6608388 0.92 PDE4B (0.41) PDE4APDE4BPDE4CPDE4DMEN1
SCHEMBL6609105 0.89 PDE4B (0.53) PDE4APDE4BPDE4CPDE4DPOLB
SCHEMBL6609100 0.89 PDE4B (0.53) PDE4APDE4BPDE4CPDE4DPOLB
SCHEMBL6605036 0.85 MAPT (0.43) PDE4APDE4BPDE4CPDE4DPOLB
SCHEMBL6605043 0.85 MAPT (0.43) PDE4APDE4BPDE4CPDE4DPOLB
SCHEMBL6609024 0.84 PDE4A (0.46) PDE4APDE4BPDE4CPDE4DPOLB
SCHEMBL6609021 0.84 PDE4A (0.46) PDE4APDE4BPDE4CPDE4DPOLB
SCHEMBL6608598 0.83 PDE4A (0.43) PDE4APDE4BPDE4CPDE4DPOLB

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
EP-0882714-B1 SUBSTITUTED VINYLPYRIDINE DERIVATIVES AND DRUGS CONTAINING THE SAME SS PHARMACEUTICAL CO (JP) 2004-03-03 EP disclosed
EP-0882714-A1 SUBSTITUTED VINYLPYRIDINE DERIVATIVES AND DRUGS CONTAINING THE SAME SS Pharmaceutical Co., Ltd. (JP) 1998-12-09 EP disclosed