SCHEMBL6949655

SCHEMBL6949655

COCCN1C(C)=C(C(=O)O)C(c2cccc(Cl)c2C#N)C(C(=O)O)=C1C

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PYGL P06737 16/20 0.44
PYGM P11217 16/20 0.44
NR3C2 P08235 1/20 0.43
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
GLA P06280 1/20 0.41
GAA P10253 1/20 0.41
ATM Q13315 1/20 0.41
NOTUM Q6P988 1/20 0.39
LMNA P02545 1/20 0.39
SMN1; SMN2 Q16637 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
SCHEMBL6947787 0.92 PYGM (0.55) PYGLPYGMNR3C2
SCHEMBL6952275 0.89 NR3C2 (0.42) PYGLPYGMNR3C2KDM4EALDH1A1
SCHEMBL6951169 0.87 NR3C2 (0.43) PYGLPYGMNR3C2KDM4EALDH1A1
SCHEMBL6951439 0.82 LMNA (0.44) PYGLPYGMNR3C2KDM4EALDH1A1
SCHEMBL5754356 0.80 PYGM (0.51) PYGLPYGMNR3C2KDM4E
SCHEMBL7307972 0.80 PYGM (0.51) PYGLPYGMNR3C2KDM4E
SCHEMBL5752638 0.80 PYGM (0.51) PYGLPYGMNR3C2KDM4E
SCHEMBL6949651 0.78 CYP2C9 (0.53) KDM4EALDH1A1GAALMNA
SCHEMBL6952771 0.77 NR3C2 (0.42) PYGLPYGMNR3C2LMNASMN1; SMN2
SCHEMBL5080218 0.77 PYGL (0.38) PYGLPYGMNR3C2KDM4EALDH1A1

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 1 patent. 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