SCHEMBL9829022

SCHEMBL9829022

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

nearest known ligand 0.48

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PYGL P06737 19/20 0.48
PYGM P11217 19/20 0.48
ALOX15 P16050 1/20 0.37

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
SCHEMBL10968852 0.91 PYGM (0.37) PYGLPYGM
SCHEMBL10649530 0.90 PYGL (0.39) PYGLPYGM
SCHEMBL10967987 0.89 ALDH1A1 (0.44) PYGLPYGM
SCHEMBL9827653 0.87 PYGM (0.35) PYGLPYGM
SCHEMBL10969370 0.87 PYGM (0.35) PYGLPYGM
SCHEMBL30157261 0.86 PYGM (0.62) PYGLPYGMALOX15
SCHEMBL4072118 0.86 PYGM (0.62) PYGLPYGMALOX15
SCHEMBL9828158 0.85 PYGM (0.35) PYGLPYGM
SCHEMBL10374293 0.83 PYGM (0.49) PYGLPYGM
SCHEMBL10687926 0.82 PYGM (0.48) PYGLPYGM

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-0235347-B1 DIHYDROPYRIDINE LACTOLS, PROCESSES FOR THEIR PREPARATION, AND THEIR USE AS PHARMACEUTICAL COMPOUNDS BAYER AG (DE) 1991-10-09 EP disclosed
EP-0258729-B1 DIHYDROPYRIDINE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE BAYER AG (DE) 1990-04-25 EP disclosed
EP-0235347-A2 Dihydropyridine lactols, processes for their preparation, and their use as pharmaceutical compounds BAYER AG (DE) 1987-09-09 EP disclosed