SCHEMBL9484155

SCHEMBL9484155

COC(C(=O)O)C(SCc1ccc(C(=O)O)s1)c1ccccc1CCCCCCCCc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYSLTR2 Q9NS75 10/20 0.46
CYSLTR1 Q9Y271 10/20 0.46
FAAH O00519 2/20 0.38
BID P55957 1/20 0.35
BCL2L1 Q07817 1/20 0.35
MCL1 Q07820 1/20 0.35
BAK1 Q16611 1/20 0.35
CES1 P23141 1/20 0.35
PTGER2 P43116 2/20 0.35
PTGER4 P35408 1/20 0.35
LTB4R Q15722 1/20 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
SCHEMBL9484791 0.86 CYSLTR2 (0.62) CYSLTR2CYSLTR1FAAHBIDBCL2L1
SCHEMBL9485489 0.80 CYSLTR2 (0.38) CYSLTR2CYSLTR1FAAHBIDBCL2L1
SCHEMBL9559948 0.79 CYSLTR2 (0.72) CYSLTR2CYSLTR1
SCHEMBL9560824 0.79 CYSLTR2 (0.72) CYSLTR2CYSLTR1
SCHEMBL9428630 0.78 CYSLTR2 (0.45) CYSLTR2CYSLTR1PTGER2PTGER4
SCHEMBL9429049 0.78 CYSLTR2 (0.45) CYSLTR2CYSLTR1PTGER2PTGER4
SCHEMBL8937745 0.75 CYSLTR2 (0.47) CYSLTR2CYSLTR1BIDBCL2L1MCL1
SCHEMBL9364503 0.75 CYSLTR2 (0.47) CYSLTR2CYSLTR1BIDBCL2L1MCL1
SCHEMBL9484022 0.75 CYSLTR2 (0.48) CYSLTR2CYSLTR1FAAHLTB4R
SCHEMBL9429962 0.74 CYSLTR2 (0.48) CYSLTR2CYSLTR1FAAH

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-0532674-A4 LEUKOTRIENE ANTAGONISTS 1993-04-07 EP disclosed
EP-0532674-A1 LEUKOTRIENE ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1993-03-24 EP disclosed
WO-1991018889-A1 LEUKOTRIENE ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1991-12-12 WO disclosed