SCHEMBL9864934

SCHEMBL9864934

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

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PYGM P11217 16/20 0.49
PYGL P06737 15/20 0.49
GAA P10253 1/20 0.39
TSHR P16473 1/20 0.39
ADORA2B P29275 1/20 0.37
ALDH1A1 P00352 2/20 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
SCHEMBL4072118 0.90 PYGM (0.62) PYGMPYGL
SCHEMBL30157261 0.90 PYGM (0.62) PYGMPYGL
SCHEMBL9865794 0.88 PYGM (0.46) PYGMPYGLADORA2B
SCHEMBL10968852 0.85 PYGM (0.37) PYGMPYGLGAATSHRALDH1A1
SCHEMBL10425160 0.84 PYGM (0.46) PYGMPYGLADORA2B
SCHEMBL10425201 0.83 PYGM (0.45) PYGMPYGLGAATSHRADORA2B
SCHEMBL9865950 0.81 PYGM (0.52) PYGMPYGL
SCHEMBL10424875 0.80 PYGM (0.46) PYGMPYGLTSHRADORA2B
SCHEMBL10660400 0.80 PYGM (0.49) PYGMPYGLGAATSHRADORA2B
SCHEMBL9867642 0.79 PYGL (0.46) PYGMPYGLALDH1A1

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