SCHEMBL9428630

SCHEMBL9428630

COc1cc(C(=O)O)ccc1CSC(c1ccccc1CCCCCCCCc1ccccc1)C(OC)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYSLTR2 Q9NS75 3/20 0.45
CYSLTR1 Q9Y271 3/20 0.45
PDE4A P27815 5/20 0.43
PDE4B Q07343 5/20 0.43
PDE4C Q08493 5/20 0.43
PDE4D Q08499 5/20 0.43
LMNA P02545 1/20 0.39
KMT2A Q03164 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
PTGER1 P34995 1/20 0.38
PTGER4 P35408 1/20 0.38
PTGER3 P43115 1/20 0.38
PTGER2 P43116 1/20 0.38
HPGD P15428 1/20 0.37

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
SCHEMBL9429049 1.00 CYSLTR2 (0.45) CYSLTR2CYSLTR1PDE4APDE4BPDE4C
SCHEMBL9364032 0.90 CYSLTR2 (0.57) CYSLTR2CYSLTR1PDE4APDE4BPDE4C
SCHEMBL9364026 0.90 CYSLTR2 (0.57) CYSLTR2CYSLTR1PDE4APDE4BPDE4C
SCHEMBL9429009 0.87 CYSLTR2 (0.41) CYSLTR2CYSLTR1LMNAKMT2AL3MBTL1
SCHEMBL9428096 0.83 CYSLTR2 (0.58) CYSLTR2CYSLTR1PDE4APDE4BPDE4C
SCHEMBL9855528 0.83 CYSLTR2 (0.56) CYSLTR2CYSLTR1LMNAKMT2AL3MBTL1
SCHEMBL9364468 0.83 CYSLTR2 (0.57) CYSLTR2CYSLTR1PDE4APDE4BPDE4C
SCHEMBL9856273 0.80 CYSLTR2 (0.48) CYSLTR2CYSLTR1LMNAKMT2AL3MBTL1
SCHEMBL9364503 0.80 CYSLTR2 (0.47) CYSLTR2CYSLTR1PDE4APDE4BPDE4C
SCHEMBL8937745 0.80 CYSLTR2 (0.47) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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