SCHEMBL9535430

SCHEMBL9535430

CCCCCCCCCCCCc1ccsc1C(Cc1nnn[nH]1)SCCC(=O)O

nearest known ligand 0.44

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CYSLTR2 Q9NS75 18/20 0.44
CYSLTR1 Q9Y271 18/20 0.44
LTB4R Q15722 1/20 0.36

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
SCHEMBL9532623 0.90 CYSLTR2 (0.48) CYSLTR2CYSLTR1LTB4R
SCHEMBL9560009 0.83 CYSLTR2 (0.61) CYSLTR2CYSLTR1
SCHEMBL9533019 0.83 LTB4R (0.37) CYSLTR2CYSLTR1LTB4R
SCHEMBL9533026 0.82 LTB4R (0.41) CYSLTR2CYSLTR1LTB4R
SCHEMBL9531617 0.81 CYSLTR2 (0.44) CYSLTR2CYSLTR1LTB4R
SCHEMBL9533721 0.81 CYSLTR2 (0.44) CYSLTR2CYSLTR1
SCHEMBL9532916 0.81 CYSLTR2 (0.53) CYSLTR2CYSLTR1LTB4R
SCHEMBL10687697 0.78 CYSLTR2 (0.62) CYSLTR2CYSLTR1
SCHEMBL9561574 0.75 CYSLTR2 (0.48) CYSLTR2CYSLTR1
SCHEMBL9535168 0.73 CYSLTR2 (0.53) CYSLTR2CYSLTR1LTB4R

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