SCHEMBL9428987

SCHEMBL9428987

O=C(O)c1ccccc1SC(c1ccccc1CCCc1ccccc1)C(O)C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYSLTR2 Q9NS75 4/20 0.57
CYSLTR1 Q9Y271 4/20 0.57
POLB P06746 2/20 0.43
BID P55957 1/20 0.37
BCL2L1 Q07817 1/20 0.37
MCL1 Q07820 1/20 0.37
BAK1 Q16611 1/20 0.37
PTGER1 P34995 1/20 0.36
PTGER4 P35408 1/20 0.36
PTGER3 P43115 1/20 0.36
PTGER2 P43116 1/20 0.36
CYP1A2 P05177 1/20 0.36
GAA P10253 1/20 0.36
ALDH1A1 P00352 1/20 0.36
PTPRG P23470 1/20 0.35
KDM6B O15054 1/20 0.34
KDM4A O75164 1/20 0.34
KDM4D Q6B0I6 1/20 0.34
KDM3B Q7LBC6 1/20 0.34
HIF1AN Q9NWT6 1/20 0.34

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 0.97 CYSLTR2 (0.62) CYSLTR2CYSLTR1POLBBIDBCL2L1
SCHEMBL9856022 0.97 CYSLTR2 (0.62) CYSLTR2CYSLTR1POLBBIDBCL2L1
SCHEMBL9428519 0.88 POLB (0.49) CYSLTR2CYSLTR1POLBCYP1A2ALDH1A1
SCHEMBL9428367 0.86 CYSLTR2 (0.50) CYSLTR2CYSLTR1POLBBIDBCL2L1
SCHEMBL9429047 0.85 CYSLTR2 (0.49) CYSLTR2CYSLTR1POLBBIDBCL2L1
SCHEMBL9428890 0.81 CYSLTR2 (0.50) CYSLTR2CYSLTR1POLBBIDBCL2L1
SCHEMBL9503373 0.81 CYSLTR2 (0.47) CYSLTR2CYSLTR1POLBBIDBCL2L1
SCHEMBL9855870 0.81 CYSLTR2 (0.69) CYSLTR2CYSLTR1BIDBCL2L1MCL1
SCHEMBL9855869 0.81 CYSLTR2 (0.69) CYSLTR2CYSLTR1BIDBCL2L1MCL1
SCHEMBL9364884 0.78 CYSLTR2 (0.62) CYSLTR2CYSLTR1BIDBCL2L1MCL1

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