SCHEMBL9503595

SCHEMBL9503595

COC(=O)c1ccc(SC(c2ccccc2CCCCCCCCc2ccccc2)C(O)C(=O)O)cc1

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYSLTR2 Q9NS75 4/20 0.57
CYSLTR1 Q9Y271 4/20 0.57
MGLL Q99685 1/20 0.43
FAAH O00519 4/20 0.43
CYP4A11 Q02928 2/20 0.43
CYP4F2 P78329 1/20 0.43
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
ERAP2 Q6P179 1/20 0.39
LNPEP Q9UIQ6 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CES1 P23141 3/20 0.39
GLS O94925 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
SCHEMBL9357158 0.93 CYSLTR2 (0.48) CYSLTR2CYSLTR1MGLLFAAHCYP4A11
SCHEMBL9357156 0.93 CYSLTR2 (0.48) CYSLTR2CYSLTR1MGLLFAAHCYP4A11
SCHEMBL9369239 0.92 CYSLTR2 (0.48) CYSLTR2CYSLTR1MGLLFAAHCYP4A11
SCHEMBL9356626 0.92 CYSLTR2 (0.48) CYSLTR2CYSLTR1MGLLFAAHCYP4A11
SCHEMBL9856680 0.89 CYSLTR2 (0.46) CYSLTR2CYSLTR1MGLLFAAHCYP4A11
SCHEMBL9364884 0.88 CYSLTR2 (0.62) CYSLTR2CYSLTR1
SCHEMBL9364882 0.88 CYSLTR2 (0.62) CYSLTR2CYSLTR1
SCHEMBL9429346 0.86 CYSLTR2 (0.43) CYSLTR2CYSLTR1MGLLFAAHCYP4A11
SCHEMBL9427991 0.85 CYSLTR2 (0.64) CYSLTR2CYSLTR1
SCHEMBL9364198 0.83 CYSLTR2 (0.64) CYSLTR2CYSLTR1MAPT

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 2 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-0375348-B1 LEUKOTRIENE ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1993-06-23 EP disclosed