SCHEMBL4336040

SCHEMBL4336040

Cc1cc(C)c(NC(=O)COCCn2cc(-c3ccccc3)c3ccc(C(=O)O)cc32)c(C)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CPT2 P23786 1/20 0.43
CPT1A P50416 1/20 0.43
CPT1B Q92523 1/20 0.43
RXFP1 Q9HBX9 1/20 0.41
HTT P42858 1/20 0.41
SLC22A12 Q96S37 3/20 0.39
SCN9A Q15858 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.38
MAPT P10636 5/20 0.38
ALDH1A1 P00352 2/20 0.37
LMNA P02545 2/20 0.37
PDE4A P27815 2/20 0.37
PDE4B Q07343 2/20 0.37
PDE4C Q08493 2/20 0.37
PDE4D Q08499 2/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
TDP1 Q9NUW8 1/20 0.37
CYP1A2 P05177 1/20 0.37
POLB P06746 1/20 0.37

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
SCHEMBL13577917 0.93 RXFP1 (0.42) CPT2CPT1ACPT1BRXFP1HTT
SCHEMBL4333770 0.88 CPT2 (0.53) CPT2CPT1ACPT1BRXFP1HTT
SCHEMBL4338970 0.85 KMT2A (0.47) CPT2CPT1ACPT1BSLC22A12SCN9A
SCHEMBL4335570 0.83 CPT2 (0.52) CPT2CPT1ACPT1BHTTSCN9A
SCHEMBL4331924 0.82 CPT2 (0.51) CPT2CPT1ACPT1BSCN9ASMN1; SMN2
SCHEMBL4319983 0.82 CPT2 (0.51) CPT2CPT1ACPT1BSCN9ASMN1; SMN2
SCHEMBL4334077 0.82 CPT2 (0.42) CPT2CPT1ACPT1BHTTSLC22A12
SCHEMBL4340728 0.81 NPC1 (0.48) CPT2CPT1ACPT1BSMN1; SMN2MAPT
SCHEMBL13578024 0.81 CPT2 (0.47) CPT2CPT1ACPT1BHTTSMN1; SMN2
SCHEMBL4340830 0.81 NPC1 (0.48) CPT2CPT1ACPT1BRXFP1SLC22A12

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
WO-2009147121-A1 CARBOXYL SUBSTITUTED INDOLES FOR USE AS PPAR ALPHA MODULATORS SMITHKLINE BEECHAM CORPORATION (US) 2009-12-10 WO claimed
WO-2009147121-A1 CARBOXYL SUBSTITUTED INDOLES FOR USE AS PPAR ALPHA MODULATORS SMITHKLINE BEECHAM CORPORATION (US) 2009-12-10 WO disclosed