SCHEMBL9484841

SCHEMBL9484841

CCCCCCCCc1ccccc1-c1ccccc1C(C)C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYSLTR2 Q9NS75 11/20 0.54
CYSLTR1 Q9Y271 11/20 0.54
PPARA Q07869 2/20 0.48
BID P55957 3/20 0.46
MCL1 Q07820 3/20 0.46
BCL2L1 Q07817 2/20 0.46
BAK1 Q16611 2/20 0.46
KAT8 Q9H7Z6 2/20 0.46
PPARG P37231 1/20 0.46
EP300 Q09472 1/20 0.46
KAT2A Q92830 1/20 0.46
KAT2B Q92831 1/20 0.46
KAT5 Q92993 1/20 0.46
SAE1 Q9UBE0 1/20 0.46
LIPG Q9Y5X9 1/20 0.45

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
SCHEMBL3242848 0.88 CYSLTR2 (0.62) CYSLTR2CYSLTR1PPARABIDMCL1
SCHEMBL10435204 0.88 CYSLTR2 (0.62) CYSLTR2CYSLTR1PPARABIDMCL1
SCHEMBL28373053 0.87 CYSLTR2 (0.59) CYSLTR2CYSLTR1PPARABIDMCL1
SCHEMBL6901338 0.82 CYSLTR2 (0.54) CYSLTR2CYSLTR1PPARABIDMCL1
SCHEMBL11663988 0.78 LIPG (0.62) CYSLTR2CYSLTR1PPARABIDMCL1
SCHEMBL196217 0.78 LIPG (0.62) CYSLTR2CYSLTR1PPARABIDMCL1
SCHEMBL8157124 0.78 LIPG (0.62) CYSLTR2CYSLTR1PPARABIDMCL1
SCHEMBL1921650 0.78 LIPG (0.62) CYSLTR2CYSLTR1PPARABIDMCL1
SCHEMBL9619382 0.78 LIPG (0.62) CYSLTR2CYSLTR1PPARABIDMCL1
SCHEMBL1414266 0.78 LIPG (0.62) CYSLTR2CYSLTR1PPARABIDMCL1

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
EP-0527175-A4 3-NAPHTHYL-3-CARBOXYALKYLTHIO OR OXY SUBSTITUTED ALKANOIC ACID LEUKOTRIENE ANTAGONISTS 1993-05-05 EP disclosed
EP-0527175-A1 3-NAPHTHYL-3-CARBOXYALKYLTHIO OR OXY SUBSTITUTED ALKANOIC ACID LEUKOTRIENE ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1993-02-17 EP disclosed
WO-1991017149-A1 3-NAPHTHYL-3-CARBOXYALKYLTHIO OR OXY SUBSTITUTED ALKANOIC ACID LEUKOTRIENE ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1991-11-14 WO disclosed