SCHEMBL13765248

SCHEMBL13765248

CCOC(=O)[C@@H](N)CSC1c2cc(OCc3ccc4cc(F)c(F)cc4n3)ccc2OCc2ncccc21

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYSLTR2 Q9NS75 5/20 0.37
CYSLTR1 Q9Y271 5/20 0.37
LTB4R Q15722 4/20 0.35
ALOX5AP P20292 1/20 0.32
ALOX5 P09917 1/20 0.31
PPARG P37231 1/20 0.31
PPARD Q03181 1/20 0.31
PPARA Q07869 1/20 0.31

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
SCHEMBL13765182 0.89 CYSLTR2 (0.38) CYSLTR2CYSLTR1LTB4RALOX5APPPARG
SCHEMBL13765183 0.85 CYSLTR2 (0.35) CYSLTR2CYSLTR1LTB4RALOX5APPPARG
SCHEMBL4228194 0.85 CYSLTR2 (0.39) CYSLTR2CYSLTR1LTB4RALOX5APALOX5
SCHEMBL5787381 0.85 CYSLTR2 (0.36) CYSLTR2CYSLTR1LTB4RALOX5APALOX5
SCHEMBL14159613 0.84 CYSLTR2 (0.38) CYSLTR2CYSLTR1LTB4RALOX5AP
SCHEMBL4063107 0.84 LTB4R (0.37) CYSLTR2CYSLTR1LTB4RALOX5AP
SCHEMBL4234235 0.84 CYSLTR2 (0.42) CYSLTR2CYSLTR1LTB4RALOX5AP
SCHEMBL4242583 0.84 LTB4R (0.38) CYSLTR2CYSLTR1LTB4RALOX5AP
SCHEMBL14159612 0.84 CYSLTR2 (0.38) CYSLTR2CYSLTR1LTB4RALOX5APPPARG
SCHEMBL4376492 0.84 CYSLTR2 (0.38) CYSLTR2CYSLTR1LTB4RALOX5APPPARG

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 3 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
EP-1560834-B1 NEW TRICYCLIC DERIVATIVES AS LTD4 ANTAGONISTS ALMIRALL LAB (ES) 2008-06-25 EP disclosed