SCHEMBL9505459

SCHEMBL9505459

O=C(O)CCSC(c1ncccc1CCCCCCCCc1ccccc1)C(O)C(=O)O

nearest known ligand 0.71

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CYSLTR2 Q9NS75 14/20 0.71
CYSLTR1 Q9Y271 14/20 0.71
MAPT P10636 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
TBXAS1 P24557 2/20 0.40
DAGLA Q9Y4D2 1/20 0.40

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
SCHEMBL9504617 0.89 CYSLTR2 (0.55) CYSLTR2CYSLTR1MAPTRXFP1DAGLA
SCHEMBL9503364 0.89 CYSLTR2 (0.60) CYSLTR2CYSLTR1MAPTRXFP1
Pobilukast SCHEMBL125952 0.83 CYSLTR2 (1.00) CYSLTR2CYSLTR1MAPTRXFP1
Pobilukast SCHEMBL6437479 0.83 CYSLTR2 (1.00) CYSLTR2CYSLTR1MAPTRXFP1
Pobilukast SCHEMBL29473536 0.83 CYSLTR2 (1.00) CYSLTR2CYSLTR1MAPTRXFP1
SCHEMBL9505512 0.83 CYSLTR2 (0.70) CYSLTR2CYSLTR1MAPTRXFP1TBXAS1
Pobilukast SCHEMBL9508139 0.82 CYSLTR2 (0.98) CYSLTR2CYSLTR1MAPTRXFP1
Pobilukast SCHEMBL9508133 0.82 CYSLTR2 (0.98) CYSLTR2CYSLTR1MAPTRXFP1
SCHEMBL9501760 0.82 CYSLTR2 (0.48) CYSLTR2CYSLTR1DAGLA
SCHEMBL9503341 0.80 CYSLTR2 (0.49) CYSLTR2CYSLTR1MAPTRXFP1TBXAS1

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
EP-0548291-A1 PYRIDYLTHIO OR PYRIDYLOXY ALKANOIC ACIDS SMITHKLINE BEECHAM CORPORATION (US) 1993-06-30 EP disclosed
WO-1992005156-A1 PYRIDYLTHIO OR PYRIDYLOXY ALKANOIC ACIDS SMITHKLINE BEECHAM CORPORATION (US) 1992-04-02 WO disclosed