SCHEMBL9865794

SCHEMBL9865794

CCN1C(C)=C(C(=O)OC(C)C)C(c2ccccc2C#N)C2=C1COC2=O

nearest known ligand 0.46

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PYGM P11217 15/20 0.46
PYGL P06737 14/20 0.46
NR3C2 P08235 2/20 0.37
ADORA2B P29275 1/20 0.37
LMNA P02545 1/20 0.35

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
SCHEMBL9864934 0.88 PYGM (0.49) PYGMPYGLADORA2B
SCHEMBL10969370 0.87 PYGM (0.35) PYGMPYGLNR3C2
SCHEMBL30157261 0.86 PYGM (0.62) PYGMPYGL
SCHEMBL4072118 0.86 PYGM (0.62) PYGMPYGL
SCHEMBL10425160 0.80 PYGM (0.46) PYGMPYGLADORA2B
SCHEMBL10425201 0.78 PYGM (0.45) PYGMPYGLADORA2B
SCHEMBL9865950 0.78 PYGM (0.52) PYGMPYGL
SCHEMBL10424875 0.76 PYGM (0.46) PYGMPYGLADORA2B
SCHEMBL9865516 0.75 PYGL (0.48) PYGMPYGLLMNA
SCHEMBL10968852 0.74 PYGM (0.37) PYGMPYGL

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
US-5026714-A Novel 1-alkyl-substituted 1,4-dihydropyridinelactone anti-diabetics BAYER AKTIENGESELLSCHAFT (DE) 1991-06-25 US claimed