SCHEMBL4376492

SCHEMBL4376492

CCOC(=O)CCSC1c2cc(OCc3ccc4cc(F)c(Cl)cc4n3)ccc2OCc2ncccc21

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYSLTR2 Q9NS75 3/20 0.38
CYSLTR1 Q9Y271 3/20 0.38
PPARG P37231 1/20 0.36
PPARD Q03181 1/20 0.36
PPARA Q07869 1/20 0.36
LTB4R Q15722 2/20 0.34
ALOX5AP P20292 2/20 0.33
MAOB P27338 2/20 0.32
TBXA2R P21731 1/20 0.32

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
SCHEMBL13765183 0.93 CYSLTR2 (0.35) CYSLTR2CYSLTR1PPARGPPARDPPARA
SCHEMBL14159612 0.92 CYSLTR2 (0.38) CYSLTR2CYSLTR1PPARGPPARDPPARA
SCHEMBL4229150 0.91 LTB4R (0.36) CYSLTR2CYSLTR1LTB4RALOX5APTBXA2R
SCHEMBL13765182 0.88 CYSLTR2 (0.38) CYSLTR2CYSLTR1PPARGPPARDPPARA
SCHEMBL4237247 0.87 LTB4R (0.37) CYSLTR2CYSLTR1LTB4RALOX5APTBXA2R
SCHEMBL14159613 0.86 CYSLTR2 (0.38) CYSLTR2CYSLTR1LTB4RALOX5APTBXA2R
SCHEMBL4054249 0.85 CYSLTR2 (0.38) CYSLTR2CYSLTR1LTB4RALOX5APTBXA2R
SCHEMBL4063107 0.85 LTB4R (0.37) CYSLTR2CYSLTR1LTB4RALOX5APTBXA2R
SCHEMBL13765248 0.84 CYSLTR2 (0.37) CYSLTR2CYSLTR1PPARGPPARDPPARA
SCHEMBL4230433 0.83 TBXAS1 (0.37) CYSLTR2CYSLTR1LTB4RALOX5APTBXA2R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7557212-B2 Tricyclic derivatives as LTD4 antagonists LABORATORIOS ALMIRALL, S.A. (ES) 2009-07-07 US disclosed
US-7557212-B2 Tricyclic derivatives as LTD4 antagonists LABORATORIOS ALMIRALL, S.A. (ES) 2009-07-07 US disclosed
US-7557212-B2 Tricyclic derivatives as LTD4 antagonists LABORATORIOS ALMIRALL, S.A. (ES) 2009-07-07 US disclosed
EP-1560834-A1 NEW TRICYCLIC DERIVATIVES AS LTD4 ANTAGONISTS Almirall Prodesfarma, S.A. (ES) 2005-08-10 EP disclosed
WO-2004043966-A1 NEW TRICYCLIC DERIVATIVES AS LTD4 ANTAGONISTS ALMIRALL PRODESFARMA S.A. (ES) 2004-05-27 WO disclosed