SCHEMBL9533019

SCHEMBL9533019

CCCCCCCCCCCCc1ccsc1C(Cc1nnn[nH]1)C(=O)CCC(=O)O

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 7/20 0.37
CYSLTR2 Q9NS75 11/20 0.35
CYSLTR1 Q9Y271 11/20 0.35
S1PR2 O95136 1/20 0.32
S1PR1 P21453 1/20 0.32
S1PR3 Q99500 1/20 0.32
GPR35 Q9HC97 1/20 0.31

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
SCHEMBL9533026 0.84 LTB4R (0.41) LTB4RCYSLTR2CYSLTR1S1PR2S1PR1
SCHEMBL9535430 0.83 CYSLTR2 (0.44) LTB4RCYSLTR2CYSLTR1
SCHEMBL9531617 0.74 CYSLTR2 (0.44) LTB4RCYSLTR2CYSLTR1
SCHEMBL9532623 0.73 CYSLTR2 (0.48) LTB4RCYSLTR2CYSLTR1
SCHEMBL10687697 0.68 CYSLTR2 (0.62) CYSLTR2CYSLTR1
SCHEMBL9533721 0.68 CYSLTR2 (0.44) CYSLTR2CYSLTR1
SCHEMBL9532916 0.66 CYSLTR2 (0.53) LTB4RCYSLTR2CYSLTR1
SCHEMBL9536338 0.66 LTB4R (0.43) LTB4RCYSLTR2CYSLTR1S1PR2S1PR1
SCHEMBL27963649 0.65 CYSLTR2 (0.41) LTB4RCYSLTR2CYSLTR1GPR35
SCHEMBL27943869 0.65 CYSLTR2 (0.41) LTB4RCYSLTR2CYSLTR1GPR35

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