SCHEMBL13765183

SCHEMBL13765183

CCOC(=O)CSC1c2cc(OCc3ccc4cc(F)c(Cl)cc4n3)ccc2OCc2ncccc21

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYSLTR2 Q9NS75 3/20 0.35
CYSLTR1 Q9Y271 3/20 0.35
LTB4R Q15722 2/20 0.35
MAOB P27338 3/20 0.34
PPARG P37231 1/20 0.34
PPARD Q03181 1/20 0.34
PPARA Q07869 1/20 0.34
ALOX5AP P20292 1/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
NPC1 O15118 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32
TSHR P16473 1/20 0.32
CASP1 P29466 1/20 0.32
RAB9A P51151 1/20 0.32
KMT2A Q03164 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HSD17B10 Q99714 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
SCHEMBL13765182 0.94 CYSLTR2 (0.38) CYSLTR2CYSLTR1LTB4RMAOBPPARG
SCHEMBL4376492 0.93 CYSLTR2 (0.38) CYSLTR2CYSLTR1LTB4RMAOBPPARG
SCHEMBL4237247 0.91 LTB4R (0.37) CYSLTR2CYSLTR1LTB4RALOX5AP
SCHEMBL4229150 0.87 LTB4R (0.36) CYSLTR2CYSLTR1LTB4RALOX5AP
SCHEMBL14159612 0.85 CYSLTR2 (0.38) CYSLTR2CYSLTR1LTB4RMAOBPPARG
SCHEMBL13765248 0.85 CYSLTR2 (0.37) CYSLTR2CYSLTR1LTB4RPPARGPPARD
SCHEMBL4228194 0.85 CYSLTR2 (0.39) CYSLTR2CYSLTR1LTB4RALOX5AP
SCHEMBL4230433 0.84 TBXAS1 (0.37) CYSLTR2CYSLTR1LTB4RALOX5APKDM4E
SCHEMBL13765202 0.84 TBXAS1 (0.43) CYSLTR2CYSLTR1LTB4R
SCHEMBL4052528 0.83 LTB4R (0.43) CYSLTR2CYSLTR1LTB4RALOX5AP

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