SCHEMBL4632676

SCHEMBL4632676

COc1ccc(Cl)cc1S(=O)(=O)N1CCc2ccc(C(=O)O)cc21.Nc1ccc(C(O)C(F)(F)F)cc1

nearest known ligand 0.62

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CPT1A P50416 19/20 0.62
CPT1B Q92523 17/20 0.62
CPT2 P23786 13/20 0.62
KMT2A Q03164 1/20 0.49

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
SCHEMBL30015351 0.86 CPT1A (0.77) CPT1ACPT1BCPT2
SCHEMBL2897793 0.86 CPT1A (0.82) CPT1ACPT1BCPT2KMT2A
SCHEMBL13571613 0.80 CPT1A (0.58) CPT1ACPT1BCPT2
SCHEMBL2901204 0.80 CPT1A (0.82) CPT1ACPT1BCPT2KMT2A
SCHEMBL4794685 0.79 CPT1A (0.60) CPT1ACPT1BCPT2KMT2A
SCHEMBL4793974 0.78 CPT1A (0.62) CPT1ACPT1BCPT2
SCHEMBL2904385 0.78 CPT1A (0.73) CPT1ACPT1BCPT2
SCHEMBL3580255 0.77 CPT1A (1.00) CPT1ACPT1BCPT2
SCHEMBL30014606 0.77 CPT1A (1.00) CPT1ACPT1BCPT2
SCHEMBL2898348 0.76 CPT1A (0.64) CPT1ACPT1BCPT2KMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1926711-A1 NOVEL HETEROBICYCLIC DERIVATIVES USEFUL AS INHIBITORS OF LIVER CARNITINE PALMITOYL TRANSFERASE F.HOFFMANN-LA ROCHE AG (CH) 2008-06-04 EP disclosed
WO-2007031429-A1 NOVEL HETEROBICYCLIC DERIVATIVES USEFUL AS INHIBITORS OF LIVER CARNITINE PALMITOYL TRANSFERASE F. HOFFMANN-LA ROCHE AG (CH) 2007-03-22 WO disclosed