SCHEMBL9484665

SCHEMBL9484665

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

nearest known ligand 0.69

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CYSLTR2 Q9NS75 18/20 0.69
CYSLTR1 Q9Y271 18/20 0.69

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
SCHEMBL27262084 0.92 CYSLTR2 (0.81) CYSLTR2CYSLTR1
SCHEMBL9395589 0.92 CYSLTR2 (0.81) CYSLTR2CYSLTR1
SCHEMBL9395596 0.92 CYSLTR2 (0.81) CYSLTR2CYSLTR1
SCHEMBL9484672 0.85 CYSLTR2 (0.58) CYSLTR2CYSLTR1
SCHEMBL9560022 0.83 CYSLTR2 (0.69) CYSLTR2CYSLTR1
Pobilukast SCHEMBL125952 0.82 CYSLTR2 (1.00) CYSLTR2CYSLTR1
Pobilukast SCHEMBL29473536 0.82 CYSLTR2 (1.00) CYSLTR2CYSLTR1
Pobilukast SCHEMBL6437479 0.82 CYSLTR2 (1.00) CYSLTR2CYSLTR1
SCHEMBL9560057 0.81 CYSLTR2 (0.72) CYSLTR2CYSLTR1
Pobilukast SCHEMBL9508139 0.81 CYSLTR2 (0.98) CYSLTR2CYSLTR1

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 7 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-0536310-A1 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 1993-04-14 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
EP-0536310-A4 CHEMICAL COMPOUNDS. SMITHKLINE BEECHAM CORP (US) 1993-02-05 EP disclosed
WO-1992000279-A1 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 1992-01-09 WO disclosed
WO-1991017149-A1 3-NAPHTHYL-3-CARBOXYALKYLTHIO OR OXY SUBSTITUTED ALKANOIC ACID LEUKOTRIENE ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1991-11-14 WO disclosed
US-4996214-A Respiratory systyem disorders SMITHKLINE BEECHAM CORPORATION (US) 1991-02-26 US disclosed