SCHEMBL4748814

SCHEMBL4748814

Fc1cc2ccc(COc3ccc4c(c3)C(SC[C]3CC3)c3ncccc3CO4)nc2cc1F

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 4/20 0.38
PDE10A Q9Y233 3/20 0.36
CYSLTR2 Q9NS75 1/20 0.33
CYSLTR1 Q9Y271 1/20 0.33
TBXAS1 P24557 1/20 0.33
PDE4A P27815 1/20 0.31
PDE4B Q07343 1/20 0.31
PDE3B Q13370 1/20 0.31
PDE3A Q14432 1/20 0.31
ALOX5AP P20292 1/20 0.30

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
SCHEMBL4745998 0.89 LTB4R (0.38) LTB4RPDE10ACYSLTR2CYSLTR1TBXAS1
SCHEMBL4226154 0.86 CYSLTR2 (0.38) LTB4RCYSLTR2CYSLTR1TBXAS1
SCHEMBL4050972 0.84 LTB4R (0.45) LTB4RPDE10ACYSLTR2CYSLTR1ALOX5AP
SCHEMBL4230528 0.83 CYSLTR2 (0.37) LTB4RPDE10ACYSLTR2CYSLTR1TBXAS1
SCHEMBL4242583 0.78 LTB4R (0.38) LTB4RPDE10ACYSLTR2CYSLTR1TBXAS1
SCHEMBL4060665 0.77 LTB4R (0.38) LTB4RPDE10ACYSLTR2CYSLTR1
SCHEMBL13765226 0.76 LTB4R (0.35) LTB4RPDE10ACYSLTR2CYSLTR1TBXAS1
SCHEMBL4228194 0.76 CYSLTR2 (0.39) LTB4RPDE10ACYSLTR2CYSLTR1TBXAS1
SCHEMBL4052805 0.76 LTB4R (0.46) LTB4RPDE10ACYSLTR2CYSLTR1ALOX5AP
SCHEMBL4230775 0.76 TBXAS1 (0.39) LTB4RPDE10ACYSLTR2CYSLTR1TBXAS1

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

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