SCHEMBL9867642

SCHEMBL9867642

CCN1C(C)=C(C(=O)OC(C)(C)C)C(c2ccccc2Cl)C2=C1COC2=O

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PYGL P06737 16/20 0.46
PYGM P11217 16/20 0.46
NR3C2 P08235 1/20 0.39
ALDH1A1 P00352 1/20 0.38
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
ALOX12 P18054 1/20 0.36
CYP2C19 P33261 1/20 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
SCHEMBL9865516 0.90 PYGL (0.48) PYGLPYGMALDH1A1CYP3A4CYP2C9
SCHEMBL30157261 0.87 PYGM (0.62) PYGLPYGM
SCHEMBL4072118 0.87 PYGM (0.62) PYGLPYGM
SCHEMBL10659301 0.87 PYGL (0.52) PYGLPYGMALDH1A1
SCHEMBL9865957 0.85 PYGL (0.44) PYGLPYGMALDH1A1CYP3A4CYP2C9
SCHEMBL9865950 0.84 PYGM (0.52) PYGLPYGM
SCHEMBL10649530 0.80 PYGL (0.39) PYGLPYGMALDH1A1CYP3A4CYP2C9
SCHEMBL9864934 0.79 PYGM (0.49) PYGLPYGMALDH1A1
SCHEMBL11007467 0.78 ALDH1A1 (0.46) ALDH1A1
SCHEMBL9864858 0.78 ALDH1A1 (0.46) ALDH1A1CYP3A4CYP2C9CYP2C19

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