SCHEMBL4328449

SCHEMBL4328449

O=C(COCCn1cc(-c2ccccc2)c2ccc(C(=O)O)cc21)Nc1cc2c(cc1O)CCCC2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CPT2 P23786 1/20 0.40
CPT1A P50416 1/20 0.40
CPT1B Q92523 1/20 0.40
SCN9A Q15858 1/20 0.35
ALDH1A1 P00352 2/20 0.34
LMNA P02545 1/20 0.34
POLB P06746 2/20 0.34
HIF1A Q16665 1/20 0.33
EPAS1 Q99814 1/20 0.33
FABP4 P15090 1/20 0.33
NPY1R P25929 1/20 0.33
NPY2R P49146 1/20 0.33
HRH2 P25021 1/20 0.33
KDM4E B2RXH2 2/20 0.32
S1PR1 P21453 1/20 0.32
HDAC1 Q13547 2/20 0.32
LTB4R Q15722 1/20 0.32
NPC1 O15118 1/20 0.32
MAPT P10636 1/20 0.32
RAB9A P51151 1/20 0.32

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
SCHEMBL13577899 0.87 CPT2 (0.37) CPT2CPT1ACPT1BSCN9ALMNA
SCHEMBL13577923 0.86 CPT2 (0.47) CPT2CPT1ACPT1BALDH1A1LMNA
SCHEMBL4338970 0.85 KMT2A (0.47) CPT2CPT1ACPT1BSCN9AALDH1A1
SCHEMBL4334077 0.80 CPT2 (0.42) CPT2CPT1ACPT1BSCN9AALDH1A1
SCHEMBL13577921 0.80 EGFR (0.36) SCN9ALMNAMAPTL3MBTL1
SCHEMBL4335570 0.79 CPT2 (0.52) CPT2CPT1ACPT1BSCN9AALDH1A1
SCHEMBL4333770 0.79 CPT2 (0.53) CPT2CPT1ACPT1BSCN9AALDH1A1
SCHEMBL13578019 0.79 ATM (0.49) CPT2CPT1ACPT1BALDH1A1LMNA
SCHEMBL4336040 0.78 CPT2 (0.43) CPT2CPT1ACPT1BSCN9AALDH1A1
SCHEMBL13577920 0.78 KMT2A (0.46) CPT2CPT1ACPT1BSCN9AALDH1A1

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