SCHEMBL4331924

SCHEMBL4331924

CC(C)c1ccc(NC(=O)COCCn2cc(-c3ccccc3)c3ccc(C(=O)O)cc32)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CPT2 P23786 1/20 0.51
CPT1A P50416 1/20 0.51
CPT1B Q92523 1/20 0.51
RAB9A P51151 5/20 0.44
NPC1 O15118 3/20 0.44
MAPT P10636 4/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
KDM4E B2RXH2 1/20 0.43
HSD17B10 Q99714 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
GFER P55789 1/20 0.42
LMNA P02545 3/20 0.42
ALDH1A1 P00352 3/20 0.42
HPGD P15428 2/20 0.41
BRD4 O60885 1/20 0.41
TP53 P04637 1/20 0.41
PTPN11 Q06124 1/20 0.39
S1PR1 P21453 1/20 0.38

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
SCHEMBL4327253 0.93 CPT2 (0.45) CPT2CPT1ACPT1BRAB9ANPC1
SCHEMBL4340830 0.91 NPC1 (0.48) CPT2CPT1ACPT1BRAB9ANPC1
SCHEMBL4333770 0.90 CPT2 (0.53) CPT2CPT1ACPT1BRAB9ANPC1
SCHEMBL4335570 0.89 CPT2 (0.52) CPT2CPT1ACPT1BRAB9ANPC1
SCHEMBL4327371 0.88 RAB9A (0.46) CPT2CPT1ACPT1BRAB9ANPC1
SCHEMBL4319983 0.88 CPT2 (0.51) CPT2CPT1ACPT1BRAB9ANPC1
SCHEMBL4334077 0.86 CPT2 (0.42) CPT2CPT1ACPT1BRAB9ANPC1
SCHEMBL4326611 0.86 CPT2 (0.52) CPT2CPT1ACPT1BRAB9ANPC1
SCHEMBL4327947 0.86 CPT2 (0.52) CPT2CPT1ACPT1BRAB9AMAPT
SCHEMBL4340728 0.83 NPC1 (0.48) CPT2CPT1ACPT1BRAB9ANPC1

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