SCHEMBL750912

SCHEMBL750912

CCOC(=O)OC1CN(S(=O)(=O)c2cc(Cl)ccc2OC)c2cc(C(=O)Nc3ccc(F)cc3)ccc2O1

nearest known ligand 0.75

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CPT1A P50416 20/20 0.75
CPT1B Q92523 17/20 0.75
CPT2 P23786 8/20 0.60

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
SCHEMBL751289 0.94 CPT1A (0.75) CPT1ACPT1BCPT2
SCHEMBL754859 0.93 CPT1A (0.82) CPT1ACPT1BCPT2
SCHEMBL752183 0.91 CPT1A (0.82) CPT1ACPT1BCPT2
SCHEMBL755087 0.90 CPT1A (0.87) CPT1ACPT1BCPT2
SCHEMBL755850 0.90 CPT1A (0.76) CPT1ACPT1BCPT2
Ethane SCHEMBL753205 0.89 CPT1A (0.85) CPT1ACPT1BCPT2
SCHEMBL750893 0.86 CPT1A (1.00) CPT1ACPT1BCPT2
SCHEMBL751574 0.85 CPT1A (0.81) CPT1ACPT1BCPT2
SCHEMBL752137 0.84 CPT1A (0.82) CPT1ACPT1BCPT2
SCHEMBL752643 0.83 CPT1A (0.85) 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