SCHEMBL751661

SCHEMBL751661

COc1ccc(Cl)cc1S(=O)(=O)N1C=COc2ccc(OC(=O)Nc3ccccc3)cc21

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CPT1A P50416 15/20 0.50
CPT1B Q92523 11/20 0.49
CPT2 P23786 4/20 0.45
ALPL P05186 1/20 0.43
GAA P10253 1/20 0.43
RORC P51449 1/20 0.42
POLB P06746 1/20 0.42

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
SCHEMBL752431 0.86 CPT1A (0.67) CPT1ACPT1BCPT2
SCHEMBL751620 0.81 CPT1A (0.76) CPT1ACPT1BCPT2
SCHEMBL753134 0.80 CPT1A (0.54) CPT1ACPT1BCPT2
SCHEMBL751981 0.79 CPT1A (0.49) CPT1ACPT1BCPT2ALPL
SCHEMBL13571495 0.78 CPT1A (0.66) CPT1ACPT1BCPT2
SCHEMBL753938 0.74 CPT1A (0.65) CPT1ACPT1BCPT2
SCHEMBL754242 0.73 CPT1A (0.59) CPT1ACPT1BCPT2ALPL
SCHEMBL754865 0.72 CPT1A (0.77) CPT1ACPT1BCPT2ALPL
SCHEMBL13571747 0.72 CPT1A (0.68) CPT1ACPT1BCPT2
SCHEMBL28393943 0.68 ALDH1A1 (0.69) GAAPOLB

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-1996563-B1 HETEROBICYCLIC SULFONAMIDE DERIVATIVES FOR THE TREATMENT OF DIABETES HOFFMANN LA ROCHE (CH) 2012-03-21 EP claimed