SCHEMBL9532623

SCHEMBL9532623

O=C(O)CCSC(Cc1nnn[nH]1)c1sccc1CCCCCCCCc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CYSLTR2 Q9NS75 11/20 0.48
CYSLTR1 Q9Y271 11/20 0.48
LTB4R Q15722 6/20 0.48
MAPT P10636 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37

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
SCHEMBL9535430 0.90 CYSLTR2 (0.44) CYSLTR2CYSLTR1LTB4R
SCHEMBL9532499 0.83 LTB4R (0.50) CYSLTR2CYSLTR1LTB4RMAPTRXFP1
SCHEMBL9532505 0.83 LTB4R (0.54) CYSLTR2CYSLTR1LTB4RMAPTRXFP1
SCHEMBL9533860 0.82 CYSLTR2 (0.48) CYSLTR2CYSLTR1MAPTRXFP1
SCHEMBL9534374 0.81 CYSLTR2 (0.68) CYSLTR2CYSLTR1LTB4RMAPTRXFP1
SCHEMBL9560009 0.77 CYSLTR2 (0.61) CYSLTR2CYSLTR1
SCHEMBL9539184 0.76 CYSLTR2 (0.42) CYSLTR2CYSLTR1MAPTRXFP1
SCHEMBL10475295 0.74 CYSLTR2 (0.42) CYSLTR2CYSLTR1
SCHEMBL9532869 0.74 CYSLTR2 (0.69) CYSLTR2CYSLTR1LTB4RMAPTRXFP1
SCHEMBL9533019 0.73 LTB4R (0.37) 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