SCHEMBL9428890

SCHEMBL9428890

O=C(O)c1ccccc1SC(C(=O)O)c1ccccc1CCCCCCCCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYSLTR2 Q9NS75 11/20 0.50
CYSLTR1 Q9Y271 11/20 0.50
POLB P06746 2/20 0.45
BID P55957 1/20 0.44
BCL2L1 Q07817 1/20 0.44
MCL1 Q07820 1/20 0.44
BAK1 Q16611 1/20 0.44
MAPT P10636 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39

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
SCHEMBL9428107 0.85 CYSLTR2 (0.62) CYSLTR2CYSLTR1POLBBIDBCL2L1
SCHEMBL9856022 0.85 CYSLTR2 (0.62) CYSLTR2CYSLTR1POLBBIDBCL2L1
SCHEMBL9856152 0.83 CYSLTR2 (0.63) CYSLTR2CYSLTR1POLBBIDBCL2L1
SCHEMBL9429001 0.83 CYSLTR2 (0.53) CYSLTR2CYSLTR1BIDBCL2L1MCL1
SCHEMBL9505492 0.83 NPC1 (0.44) CYSLTR2CYSLTR1POLBBIDBCL2L1
SCHEMBL9428987 0.81 CYSLTR2 (0.57) CYSLTR2CYSLTR1POLBBIDBCL2L1
SCHEMBL9429047 0.78 CYSLTR2 (0.49) CYSLTR2CYSLTR1POLBBIDBCL2L1
SCHEMBL9641436 0.76 CYSLTR2 (0.46) CYSLTR2CYSLTR1BIDBCL2L1MCL1
SCHEMBL9864015 0.75 CYSLTR2 (0.77) CYSLTR2CYSLTR1MAPTRXFP1
SCHEMBL9560024 0.75 CYSLTR2 (0.77) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5314918-A Leukotriene antagonists SMITHKLINE BEECHAM CORPORATION (US) 1994-05-24 US disclosed
EP-0296732-B1 LEUKOTRIENE ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1991-10-09 EP disclosed
EP-0403249-A1 Leukotriene antagonists SMITHKLINE BEECHAM CORPORATION (US) 1990-12-19 EP disclosed
EP-0296732-A1 Leukotriene antagonists SMITHKLINE BEECHAM CORPORATION (US) 1988-12-28 EP disclosed