SCHEMBL4600906

SCHEMBL4600906

COc1cc(C(=O)Nc2ccc(C(=O)O)cc2)cc2c1CCN2S(=O)(=O)c1cccc(C(F)(F)F)c1

nearest known ligand 0.61

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CPT1A P50416 15/20 0.61
CPT2 P23786 14/20 0.61
CPT1B Q92523 12/20 0.61
MAPT P10636 5/20 0.52
KMT2A Q03164 2/20 0.52
ALDH1A1 P00352 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
MEN1 O00255 1/20 0.51
LMNA P02545 1/20 0.47

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
SCHEMBL3572369 0.90 CPT1A (0.74) CPT1ACPT2CPT1B
SCHEMBL30016042 0.89 CPT2 (0.61) CPT1ACPT2CPT1BMAPTSMN1; SMN2
SCHEMBL3569901 0.89 CPT2 (0.61) CPT1ACPT2CPT1BMAPTSMN1; SMN2
SCHEMBL30015196 0.89 CPT1A (0.59) CPT1ACPT2CPT1BMAPTKMT2A
SCHEMBL3575184 0.89 CPT1A (0.59) CPT1ACPT2CPT1BMAPTKMT2A
SCHEMBL3579488 0.87 CPT1A (0.68) CPT1ACPT2CPT1BMAPTKMT2A
SCHEMBL30015611 0.87 CPT1A (0.68) CPT1ACPT2CPT1BMAPTKMT2A
SCHEMBL3580510 0.86 CPT2 (0.56) CPT1ACPT2CPT1BMAPTKMT2A
SCHEMBL3574595 0.83 CPT2 (0.60) CPT1ACPT2CPT1BMAPTKMT2A
SCHEMBL30015821 0.82 CPT1A (0.88) CPT1ACPT2CPT1BMAPTSMN1; SMN2

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