SCHEMBL9532869

SCHEMBL9532869

O=C(O)CCSC(c1sccc1CCCCCCCCc1ccccc1)C(O)C(=O)O

nearest known ligand 0.69

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CYSLTR2 Q9NS75 10/20 0.69
CYSLTR1 Q9Y271 10/20 0.69
LTB4R Q15722 7/20 0.59
MAPT P10636 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44

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
SCHEMBL9535168 0.88 CYSLTR2 (0.53) CYSLTR2CYSLTR1LTB4R
SCHEMBL10338711 0.83 CYSLTR2 (0.69) CYSLTR2CYSLTR1LTB4RMAPTRXFP1
SCHEMBL9534374 0.82 CYSLTR2 (0.68) CYSLTR2CYSLTR1LTB4RMAPTRXFP1
Pobilukast SCHEMBL29473536 0.82 CYSLTR2 (1.00) CYSLTR2CYSLTR1MAPTRXFP1
Pobilukast SCHEMBL6437479 0.82 CYSLTR2 (1.00) CYSLTR2CYSLTR1MAPTRXFP1
Pobilukast SCHEMBL125952 0.82 CYSLTR2 (1.00) CYSLTR2CYSLTR1MAPTRXFP1
SCHEMBL10338712 0.82 CYSLTR2 (0.62) CYSLTR2CYSLTR1LTB4RMAPTRXFP1
Pobilukast SCHEMBL9508139 0.81 CYSLTR2 (0.98) CYSLTR2CYSLTR1MAPTRXFP1
Pobilukast SCHEMBL9508133 0.81 CYSLTR2 (0.98) CYSLTR2CYSLTR1MAPTRXFP1
SCHEMBL9538018 0.78 CYSLTR2 (0.69) CYSLTR2CYSLTR1LTB4RMAPTRXFP1

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-0528957-A4 FIVE-MEMBERED RING ALKANOIC ACID LEUKOTRIENE ANTAGONISTS 1993-05-05 EP disclosed
EP-0528957-A1 FIVE-MEMBERED RING ALKANOIC ACID LEUKOTRIENE ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1993-03-03 EP disclosed
WO-1991016889-A1 FIVE-MEMBERED RING ALKANOIC ACID LEUKOTRIENE ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1991-11-14 WO disclosed