SCHEMBL9429009

SCHEMBL9429009

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

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYSLTR2 Q9NS75 3/20 0.41
CYSLTR1 Q9Y271 3/20 0.41
HIF1A Q16665 1/20 0.39
LNPEP Q9UIQ6 1/20 0.38
HPGD P15428 1/20 0.38
KMT2A Q03164 2/20 0.37
LMNA P02545 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
FAAH O00519 1/20 0.37
CYP4F2 P78329 1/20 0.36
CYP4A11 Q02928 1/20 0.36

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
SCHEMBL9856273 0.90 CYSLTR2 (0.48) CYSLTR2CYSLTR1HPGDKMT2ALMNA
SCHEMBL9855528 0.88 CYSLTR2 (0.56) CYSLTR2CYSLTR1LNPEPHPGDKMT2A
SCHEMBL9429049 0.87 CYSLTR2 (0.45) CYSLTR2CYSLTR1HPGDKMT2ALMNA
SCHEMBL9428630 0.87 CYSLTR2 (0.45) CYSLTR2CYSLTR1HPGDKMT2ALMNA
SCHEMBL9363995 0.83 CYSLTR2 (0.48) CYSLTR2CYSLTR1HIF1AHPGDLMNA
SCHEMBL9428579 0.83 CYSLTR2 (0.56) CYSLTR2CYSLTR1HPGDKMT2ALMNA
SCHEMBL10436576 0.81 CYSLTR2 (0.40) CYSLTR2CYSLTR1HPGDKMT2ALMNA
SCHEMBL9484022 0.81 CYSLTR2 (0.48) CYSLTR2CYSLTR1KMT2AL3MBTL1FAAH
SCHEMBL9429346 0.81 CYSLTR2 (0.43) CYSLTR2CYSLTR1LNPEPLMNAFAAH
SCHEMBL9364032 0.80 CYSLTR2 (0.57) CYSLTR2CYSLTR1KMT2ALMNAL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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