SCHEMBL6949149

SCHEMBL6949149

COCCN1C(C)=C(C(=O)O)C(c2cccc(C(F)(F)F)c2F)C(C(=O)OC(C)C)=C1C

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PYGM P11217 15/20 0.51
PYGL P06737 14/20 0.51
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
GLA P06280 1/20 0.43
GAA P10253 1/20 0.43
HPGD P15428 1/20 0.43
NR3C2 P08235 1/20 0.41
CACNA1F O60840 1/20 0.39
CACNA1D Q01668 1/20 0.39
CACNA1S Q13698 1/20 0.39
CACNA1C Q13936 1/20 0.39

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
SCHEMBL6949624 0.91 KDM4E (0.47) PYGMPYGLKDM4EALDH1A1GLA
SCHEMBL6953545 0.89 PYGM (0.49) PYGMPYGLNR3C2
SCHEMBL6947702 0.85 PYGM (0.53) PYGMPYGLNR3C2
SCHEMBL6947692 0.85 KDM4E (0.43) PYGMPYGLKDM4EALDH1A1GLA
SCHEMBL6952272 0.84 KDM4E (0.41) PYGMPYGLKDM4EALDH1A1GLA
SCHEMBL6949414 0.82 PYGM (0.49) PYGMPYGLNR3C2
SCHEMBL6945804 0.81 GAA (0.44) KDM4EALDH1A1GLAGAAHPGD
SCHEMBL6953114 0.80 NR3C2 (0.49) PYGMPYGLNR3C2
SCHEMBL6945824 0.79 NR3C2 (0.44) PYGMPYGLKDM4EALDH1A1GLA
SCHEMBL6951538 0.79 PYGM (0.51) PYGMPYGLNR3C2

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-0657432-B1 Phenyl-substituted 1,4-dihydropyridines with cerebral activity BAYER AG (DE) 2003-03-12 EP claimed
EP-0657432-B1 Phenyl-substituted 1,4-dihydropyridines with cerebral activity BAYER AG (DE) 2003-03-12 EP disclosed
EP-0657432-A1 Phenyl-substituted 1,4-dihydropyridines with cerebral activity BAYER AG (DE) 1995-06-14 EP disclosed