SCHEMBL13571342

SCHEMBL13571342

COc1ccc(Cl)cc1S(=O)(=O)N1CCc2ccc(OC(=O)Nc3ccc(-c4noc(=O)[nH]4)cc3)cc21

nearest known ligand 0.63

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ CPT1A P50416 19/20 0.63
▸ CPT1B Q92523 19/20 0.63
▸ CPT2 P23786 11/20 0.56

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
SCHEMBL755181 0.89 CPT1A (0.80) CPT1ACPT1BCPT2
SCHEMBL30016066 0.88 CPT1A (0.79) CPT1ACPT1BCPT2
SCHEMBL13571747 0.87 CPT1A (0.68) CPT1ACPT1BCPT2
SCHEMBL13571823 0.86 CPT1A (0.56) CPT1ACPT1BCPT2
SCHEMBL13571495 0.84 CPT1A (0.66) CPT1ACPT1BCPT2
SCHEMBL4793974 0.82 CPT1A (0.62) CPT1ACPT1BCPT2
SCHEMBL13571613 0.79 CPT1A (0.58) CPT1ACPT1BCPT2
SCHEMBL750198 0.77 CPT1A (1.00) CPT1ACPT1BCPT2
SCHEMBL751568 0.76 CPT1A (0.61) CPT1ACPT1BCPT2
SCHEMBL30015336 0.74 CPT1A (0.73) 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-1926711-B1 NOVEL HETEROBICYCLIC DERIVATIVES USEFUL AS INHIBITORS OF LIVER CARNITINE PALMITOYL TRANSFERASE HOFFMANN LA ROCHE (CH) 2012-11-07 — — EP claimed
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