SCHEMBL2901418

SCHEMBL2901418

COc1ccc(C)cc1S(=O)(=O)N1CCCc2ccc(C(=O)Nc3nc4c(s3)CCCC4OC(=O)O)cc21

nearest known ligand 0.63

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CPT1A P50416 14/20 0.63
▸ CPT1B Q92523 14/20 0.63
▸ ALDH1A1 P00352 3/20 0.59
▸ SMN1; SMN2 Q16637 3/20 0.59
▸ KDM4E B2RXH2 2/20 0.59
▸ MAPT P10636 2/20 0.59
▸ LMNA P02545 1/20 0.59
▸ GLA P06280 1/20 0.59
▸ HPGD P15428 1/20 0.59
▸ PTBP1 P26599 1/20 0.59
▸ HTT P42858 1/20 0.59
▸ CPT2 P23786 8/20 0.58
▸ NPSR1 Q6W5P4 1/20 0.47
▸ KMT2A Q03164 2/20 0.45
▸ MEN1 O00255 1/20 0.45

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
SCHEMBL2901416 0.90 CPT1A (0.65) CPT1ACPT1BALDH1A1SMN1; SMN2KDM4E
SCHEMBL2906127 0.88 CPT1A (0.66) CPT1ACPT1BALDH1A1SMN1; SMN2KDM4E
SCHEMBL2903676 0.87 CPT1A (0.62) CPT1ACPT1BALDH1A1SMN1; SMN2KDM4E
SCHEMBL2903526 0.85 CPT1A (0.62) CPT1ACPT1BALDH1A1SMN1; SMN2KDM4E
SCHEMBL2905345 0.78 CPT1A (1.00) CPT1ACPT1BCPT2
SCHEMBL2903690 0.78 CPT1A (0.77) CPT1ACPT1BALDH1A1SMN1; SMN2KDM4E
SCHEMBL3840063 0.76 CPT1A (0.75) CPT1ACPT1BALDH1A1SMN1; SMN2KDM4E
SCHEMBL3837062 0.76 CPT1A (0.97) CPT1ACPT1BCPT2
SCHEMBL2901642 0.76 KMT2A (0.74) CPT1ACPT1BALDH1A1SMN1; SMN2CPT2
SCHEMBL2898003 0.75 CPT1A (0.68) CPT1ACPT1BALDH1A1SMN1; SMN2MAPT

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-2097373-B1 SULFONAMIDE DERIVATIVES AS LIVER CARNITINE PALMITOYL TRANSFERASE (L-CPTL ) HOFFMANN LA ROCHE (CH) 2010-08-11 — — EP claimed
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