SCHEMBL4333770

SCHEMBL4333770

Cc1ccc(NC(=O)COCCn2cc(-c3ccccc3)c3ccc(C(=O)O)cc32)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CPT2 P23786 1/20 0.53
CPT1A P50416 1/20 0.53
CPT1B Q92523 1/20 0.53
STAT3 P40763 1/20 0.42
HIF1A Q16665 1/20 0.42
EPAS1 Q99814 1/20 0.42
S1PR1 P21453 1/20 0.42
MAPT P10636 6/20 0.41
ALDH1A1 P00352 2/20 0.41
POLB P06746 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
KDM4E B2RXH2 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
HSD17B10 Q99714 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
THRB P10828 1/20 0.41
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
SCN9A Q15858 2/20 0.40

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
SCHEMBL13578024 0.93 CPT2 (0.47) CPT2CPT1ACPT1BMAPTALDH1A1
SCHEMBL4335570 0.91 CPT2 (0.52) CPT2CPT1ACPT1BS1PR1MAPT
SCHEMBL4319983 0.90 CPT2 (0.51) CPT2CPT1ACPT1BHIF1AEPAS1
SCHEMBL4331924 0.90 CPT2 (0.51) CPT2CPT1ACPT1BS1PR1MAPT
SCHEMBL4336040 0.88 CPT2 (0.43) CPT2CPT1ACPT1BMAPTALDH1A1
SCHEMBL4338970 0.88 KMT2A (0.47) CPT2CPT1ACPT1BS1PR1MAPT
SCHEMBL4340728 0.86 NPC1 (0.48) CPT2CPT1ACPT1BMAPTALDH1A1
SCHEMBL4330821 0.85 CPT2 (0.48) CPT2CPT1ACPT1BALDH1A1POLB
SCHEMBL4340830 0.85 NPC1 (0.48) CPT2CPT1ACPT1BHIF1AEPAS1
SCHEMBL13577923 0.85 CPT2 (0.47) CPT2CPT1ACPT1BMAPTALDH1A1

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