SCHEMBL4338970

SCHEMBL4338970

Cc1ccc(NC(=O)COCCn2cc(-c3ccccc3)c3ccc(C(=O)O)cc32)c(O)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.47
CPT2 P23786 1/20 0.41
CPT1A P50416 1/20 0.41
CPT1B Q92523 1/20 0.41
MEN1 O00255 4/20 0.40
ATM Q13315 1/20 0.40
PARP1 P09874 1/20 0.40
GAA P10253 1/20 0.39
ALDH1A1 P00352 2/20 0.38
LMNA P02545 1/20 0.38
PLA2G1B P04054 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
ATG4B Q9Y4P1 1/20 0.38
NPC1 O15118 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
MAPT P10636 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
RAB9A P51151 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
SCHEMBL13577920 0.93 KMT2A (0.46) KMT2ACPT2CPT1ACPT1BMEN1
SCHEMBL4333770 0.88 CPT2 (0.53) KMT2ACPT2CPT1ACPT1BMEN1
SCHEMBL4336040 0.85 CPT2 (0.43) KMT2ACPT2CPT1ACPT1BMEN1
SCHEMBL4328449 0.85 CPT2 (0.40) CPT2CPT1ACPT1BALDH1A1LMNA
SCHEMBL4334077 0.83 CPT2 (0.42) KMT2ACPT2CPT1ACPT1BMEN1
SCHEMBL4335570 0.81 CPT2 (0.52) KMT2ACPT2CPT1ACPT1BMEN1
SCHEMBL13578024 0.81 CPT2 (0.47) KMT2ACPT2CPT1ACPT1BMEN1
SCHEMBL4319983 0.80 CPT2 (0.51) CPT2CPT1ACPT1BLMNAL3MBTL1
SCHEMBL4331924 0.80 CPT2 (0.51) KMT2ACPT2CPT1ACPT1BMEN1
SCHEMBL4340728 0.79 NPC1 (0.48) KMT2ACPT2CPT1ACPT1BMEN1

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