SCHEMBL751620

SCHEMBL751620

COc1ccc(Cl)cc1S(=O)(=O)N1CCOc2ccc(OC(=O)Nc3ccccc3)cc21

nearest known ligand 0.76

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CPT1A P50416 20/20 0.76
CPT1B Q92523 16/20 0.68
CPT2 P23786 8/20 0.68

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
SCHEMBL751022 0.86 CPT1A (1.00) CPT1ACPT1BCPT2
SCHEMBL754865 0.86 CPT1A (0.77) CPT1ACPT1BCPT2
SCHEMBL13571495 0.85 CPT1A (0.66) CPT1ACPT1BCPT2
SCHEMBL751568 0.85 CPT1A (0.61) CPT1ACPT1BCPT2
SCHEMBL755181 0.85 CPT1A (0.80) CPT1ACPT1BCPT2
SCHEMBL753938 0.83 CPT1A (0.65) CPT1ACPT1BCPT2
SCHEMBL754242 0.82 CPT1A (0.59) CPT1ACPT1BCPT2
SCHEMBL751899 0.81 CPT1A (1.00) CPT1ACPT1BCPT2
SCHEMBL751661 0.81 CPT1A (0.50) CPT1ACPT1BCPT2
SCHEMBL750266 0.80 CPT1A (0.82) CPT1ACPT1BCPT2

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