SCHEMBL4335570

SCHEMBL4335570

CCc1ccc(NC(=O)COCCn2cc(-c3ccccc3)c3ccc(C(=O)O)cc32)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CPT2 P23786 1/20 0.52
CPT1A P50416 1/20 0.52
CPT1B Q92523 1/20 0.52
SCN9A Q15858 3/20 0.42
POLB P06746 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
PTPN5 P54829 1/20 0.41
MAPT P10636 7/20 0.41
TP53 P04637 3/20 0.41
BRD4 O60885 1/20 0.40
RAB9A P51151 2/20 0.40
KDM4E B2RXH2 1/20 0.40
NPC1 O15118 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HSD17B10 Q99714 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
F2RL3 Q96RI0 1/20 0.39
LMNA P02545 2/20 0.39
S1PR1 P21453 1/20 0.39

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
SCHEMBL13578018 0.94 CPT2 (0.46) CPT2CPT1ACPT1BSCN9APOLB
SCHEMBL4333770 0.91 CPT2 (0.53) CPT2CPT1ACPT1BSCN9APOLB
SCHEMBL4331924 0.89 CPT2 (0.51) CPT2CPT1ACPT1BSCN9AMEN1
SCHEMBL4319983 0.89 CPT2 (0.51) CPT2CPT1ACPT1BSCN9APOLB
SCHEMBL13578024 0.86 CPT2 (0.47) CPT2CPT1ACPT1BPOLBMEN1
SCHEMBL4340728 0.84 NPC1 (0.48) CPT2CPT1ACPT1BPOLBMEN1
SCHEMBL4330821 0.84 CPT2 (0.48) CPT2CPT1ACPT1BPOLBMEN1
SCHEMBL4340830 0.83 NPC1 (0.48) CPT2CPT1ACPT1BSCN9AMEN1
SCHEMBL13578022 0.83 CPT2 (0.45) CPT2CPT1ACPT1BSCN9AMEN1
SCHEMBL4327253 0.83 CPT2 (0.45) CPT2CPT1ACPT1BMEN1KMT2A

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 3 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
WO-2009147121-A1 CARBOXYL SUBSTITUTED INDOLES FOR USE AS PPAR ALPHA MODULATORS SMITHKLINE BEECHAM CORPORATION (US) 2009-12-10 WO disclosed