SCHEMBL6608593

SCHEMBL6608593

COc1ncc(/C=C(\C#N)c2cccc(C(=O)O)c2)cc1OC1Cc2ccccc2C1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 6/20 0.43
PDE4B Q07343 6/20 0.43
PDE4C Q08493 6/20 0.43
PDE4D Q08499 6/20 0.43
PTPN7 P35236 5/20 0.42
PTPN12 Q05209 5/20 0.42
PTPN22 Q9Y2R2 5/20 0.42
POLB P06746 3/20 0.42
ALDH1A1 P00352 2/20 0.42
HPGD P15428 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.41
RECQL P46063 1/20 0.41
HIF1A Q16665 1/20 0.41
EGFR P00533 1/20 0.41
PDGFRB P09619 1/20 0.41
PDGFRA P16234 1/20 0.41
MAPT P10636 3/20 0.41
LMNA P02545 1/20 0.41
HTT P42858 1/20 0.41

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
SCHEMBL6608598 1.00 PDE4A (0.43) PDE4APDE4BPDE4CPDE4DPTPN7
SCHEMBL6609657 0.92 MAPT (0.41) PDE4APDE4BPDE4CPDE4DPTPN7
SCHEMBL6609662 0.92 MAPT (0.41) PDE4APDE4BPDE4CPDE4DPTPN7
SCHEMBL6605851 0.89 PDE4A (0.49) PDE4APDE4BPDE4CPDE4DPTPN7
SCHEMBL6605848 0.89 PDE4A (0.49) PDE4APDE4BPDE4CPDE4DPTPN7
SCHEMBL6607907 0.85 SMN1; SMN2 (0.46) PDE4BPOLBHPGDL3MBTL1SMN1; SMN2
SCHEMBL6607901 0.85 SMN1; SMN2 (0.46) PDE4BPOLBHPGDL3MBTL1SMN1; SMN2
SCHEMBL6609749 0.83 PDE4A (0.48) PDE4APDE4BPDE4CPDE4DPTPN7
SCHEMBL6609752 0.83 PDE4A (0.48) PDE4APDE4BPDE4CPDE4DPTPN7
SCHEMBL6607249 0.82 PDE4A (0.40) PDE4APDE4BPDE4CPDE4DPTPN7

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