SCHEMBL4326615

SCHEMBL4326615

COC(=O)c1ccc2c(-c3ccccc3)cn(CC(=O)O)c2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 3/20 0.49
CPT2 P23786 1/20 0.49
CPT1A P50416 1/20 0.49
CPT1B Q92523 1/20 0.49
EGFR P00533 1/20 0.46
F2RL3 Q96RI0 1/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
PTGS2 P35354 1/20 0.44
CNR2 P34972 1/20 0.43
HPGD P15428 2/20 0.43
KDM4E B2RXH2 2/20 0.43
TDP1 Q9NUW8 2/20 0.42
ALDH1A1 P00352 2/20 0.42
GLA P06280 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
RECQL P46063 1/20 0.41
PLEC Q15149 1/20 0.41

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
SCHEMBL4342789 0.87 CPT2 (0.44) SCN9ACPT2CPT1ACPT1BEGFR
SCHEMBL13577941 0.86 ASH1L (0.48) SCN9ACPT2CPT1ACPT1BEGFR
SCHEMBL4333426 0.85 ALDH1A1 (0.48) SCN9AEGFRF2RL3MEN1KMT2A
Hydrochloric Acid SCHEMBL4326712 0.85 ASH1L (0.47) SCN9ACPT2CPT1ACPT1BEGFR
SCHEMBL4324539 0.84 SCN9A (0.44) SCN9ACPT2CPT1ACPT1BEGFR
SCHEMBL4328324 0.84 F2RL3 (0.53) SCN9ACPT2CPT1ACPT1BF2RL3
SCHEMBL4330806 0.83 CAMK2D (0.45) SCN9AEGFRF2RL3MEN1KMT2A
SCHEMBL146859 0.82 SCN9A (0.66) SCN9AEGFRPTGS2HPGDTDP1
SCHEMBL173901 0.81 SCN9A (0.49) SCN9AEGFRMEN1KMT2APTGS2
SCHEMBL13577950 0.80 MAPK1 (0.45) SCN9AMEN1KMT2ACNR2ALDH1A1

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