SCHEMBL9364468

SCHEMBL9364468

COc1ccc(C(=O)O)cc1CSC(c1ccccc1CCCCCCCCc1ccccc1)C(O)C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYSLTR2 Q9NS75 3/20 0.57
CYSLTR1 Q9Y271 3/20 0.57
PDE4A P27815 6/20 0.46
PDE4B Q07343 6/20 0.46
PDE4C Q08493 6/20 0.46
PDE4D Q08499 6/20 0.46
PTGS1 P23219 1/20 0.40
PTGS2 P35354 1/20 0.40
LPAR1 Q92633 1/20 0.39
PTGER1 P34995 1/20 0.39
PTGER4 P35408 1/20 0.39
PTGER3 P43115 1/20 0.39
PTGER2 P43116 1/20 0.39
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
HTT P42858 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL9364032 0.93 CYSLTR2 (0.57) CYSLTR2CYSLTR1PDE4APDE4BPDE4C
SCHEMBL9364026 0.93 CYSLTR2 (0.57) CYSLTR2CYSLTR1PDE4APDE4BPDE4C
SCHEMBL9363995 0.86 CYSLTR2 (0.48) CYSLTR2CYSLTR1PDE4APDE4BPDE4C
SCHEMBL9855528 0.85 CYSLTR2 (0.56) CYSLTR2CYSLTR1HPGDKMT2A
SCHEMBL9427834 0.84 CYSLTR2 (0.66) CYSLTR2CYSLTR1
SCHEMBL9427841 0.84 CYSLTR2 (0.66) CYSLTR2CYSLTR1
SCHEMBL9428622 0.84 CYSLTR2 (0.69) CYSLTR2CYSLTR1PTGER1PTGER4PTGER3
SCHEMBL9364859 0.84 CYSLTR2 (0.60) CYSLTR2CYSLTR1PTGER1PTGER4PTGER3
SCHEMBL9364855 0.84 CYSLTR2 (0.60) CYSLTR2CYSLTR1PTGER1PTGER4PTGER3
SCHEMBL9428630 0.83 CYSLTR2 (0.45) CYSLTR2CYSLTR1PDE4APDE4BPDE4C

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0403249-B1 Leukotriene antagonists SMITHKLINE BEECHAM CORP (US) 1994-04-27 EP claimed
EP-0296732-B1 LEUKOTRIENE ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1991-10-09 EP claimed
EP-0296732-A1 Leukotriene antagonists SMITHKLINE BEECHAM CORPORATION (US) 1988-12-28 EP claimed
US-5314918-A Leukotriene antagonists SMITHKLINE BEECHAM CORPORATION (US) 1994-05-24 US disclosed
EP-0403249-B1 Leukotriene antagonists SMITHKLINE BEECHAM CORP (US) 1994-04-27 EP 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