SCHEMBL4334077

SCHEMBL4334077

CC(C)c1ccccc1NC(=O)COCCn1cc(-c2ccccc2)c2ccc(C(=O)O)cc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CPT2 P23786 1/20 0.42
CPT1A P50416 1/20 0.42
CPT1B Q92523 1/20 0.42
SLC22A12 Q96S37 1/20 0.41
LMNA P02545 5/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
KDM4E B2RXH2 2/20 0.39
MAPT P10636 2/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
HSD17B10 Q99714 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.38
ALDH1A1 P00352 4/20 0.38
THRB P10828 1/20 0.38
HPGD P15428 1/20 0.38
SCN9A Q15858 1/20 0.38
NLRP3 Q96P20 1/20 0.37
NPY1R P25929 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
SCHEMBL13577918 0.93 KMT2A (0.39) CPT2CPT1ACPT1BLMNASMN1; SMN2
SCHEMBL4331924 0.86 CPT2 (0.51) CPT2CPT1ACPT1BLMNASMN1; SMN2
SCHEMBL4340830 0.84 NPC1 (0.48) CPT2CPT1ACPT1BSLC22A12LMNA
SCHEMBL4338970 0.83 KMT2A (0.47) CPT2CPT1ACPT1BSLC22A12LMNA
SCHEMBL4333770 0.83 CPT2 (0.53) CPT2CPT1ACPT1BLMNASMN1; SMN2
SCHEMBL4336040 0.82 CPT2 (0.43) CPT2CPT1ACPT1BSLC22A12LMNA
SCHEMBL4335570 0.81 CPT2 (0.52) CPT2CPT1ACPT1BLMNASMN1; SMN2
SCHEMBL4319983 0.81 CPT2 (0.51) CPT2CPT1ACPT1BLMNASMN1; SMN2
SCHEMBL4328449 0.80 CPT2 (0.40) CPT2CPT1ACPT1BLMNASMN1; SMN2
SCHEMBL4340728 0.80 NPC1 (0.48) CPT2CPT1ACPT1BSMN1; SMN2KDM4E

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