SCHEMBL9534835

SCHEMBL9534835

O=C(O)CCSC(c1occc1CCCCCCCCc1ccccc1)C(O)c1nnn[nH]1

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYSLTR2 Q9NS75 14/20 0.49
CYSLTR1 Q9Y271 14/20 0.49
MAPT P10636 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
CES1 P23141 2/20 0.36
NCEH1 Q6PIU2 2/20 0.36
FAAH O00519 2/20 0.35

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
SCHEMBL9533860 0.82 CYSLTR2 (0.48) CYSLTR2CYSLTR1MAPTRXFP1CES1
SCHEMBL9538018 0.81 CYSLTR2 (0.69) CYSLTR2CYSLTR1MAPTRXFP1
SCHEMBL9560768 0.76 CYSLTR2 (0.53) CYSLTR2CYSLTR1CES1FAAH
SCHEMBL9536204 0.75 CYSLTR2 (0.68) CYSLTR2CYSLTR1MAPTRXFP1
SCHEMBL9533721 0.72 CYSLTR2 (0.44) CYSLTR2CYSLTR1
SCHEMBL9531617 0.72 CYSLTR2 (0.44) CYSLTR2CYSLTR1
SCHEMBL9534476 0.70 CYSLTR2 (0.53) CYSLTR2CYSLTR1
SCHEMBL9560084 0.67 CYSLTR2 (0.64) CYSLTR2CYSLTR1
SCHEMBL9532623 0.67 CYSLTR2 (0.48) CYSLTR2CYSLTR1MAPTRXFP1
Pobilukast SCHEMBL125952 0.67 CYSLTR2 (1.00) CYSLTR2CYSLTR1MAPTRXFP1

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