SCHEMBL9428495

SCHEMBL9428495

COC(=O)c1ccc(CSC(c2ccccc2CCCCCCCCc2ccccc2)C(O)C(=O)OC)c(F)c1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYSLTR2 Q9NS75 5/20 0.48
CYSLTR1 Q9Y271 5/20 0.48
LPL P06858 1/20 0.39
LIPC P11150 1/20 0.39
FAAH O00519 6/20 0.39
LNPEP Q9UIQ6 2/20 0.38
ERAP2 Q6P179 1/20 0.38
CES1 P23141 3/20 0.38
CYP4F2 P78329 1/20 0.37
CYP4A11 Q02928 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
SCHEMBL9364004 0.94 CYSLTR2 (0.56) CYSLTR2CYSLTR1LPLLIPCFAAH
SCHEMBL9364008 0.94 CYSLTR2 (0.56) CYSLTR2CYSLTR1LPLLIPCFAAH
SCHEMBL9363965 0.92 CYSLTR2 (0.47) CYSLTR2CYSLTR1LPLLIPCFAAH
SCHEMBL9363958 0.92 CYSLTR2 (0.47) CYSLTR2CYSLTR1LPLLIPCFAAH
SCHEMBL9856273 0.90 CYSLTR2 (0.48) CYSLTR2CYSLTR1FAAHCES1
SCHEMBL9856343 0.88 CYSLTR2 (0.53) CYSLTR2CYSLTR1FAAHCES1CYP4F2
SCHEMBL9363995 0.88 CYSLTR2 (0.48) CYSLTR2CYSLTR1FAAHCES1
SCHEMBL9364859 0.83 CYSLTR2 (0.60) CYSLTR2CYSLTR1LPLLIPCFAAH
SCHEMBL9364855 0.83 CYSLTR2 (0.60) CYSLTR2CYSLTR1LPLLIPCFAAH
SCHEMBL9855528 0.83 CYSLTR2 (0.56) CYSLTR2CYSLTR1FAAHLNPEPERAP2

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