SCHEMBL4744582

SCHEMBL4744582

CCC(CSC1c2cc(/C=C/c3ccc4cc(F)c(F)cc4n3)ccc2OCc2ncccc21)C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CYSLTR2 Q9NS75 1/20 0.32
CYSLTR1 Q9Y271 1/20 0.32
TBXAS1 P24557 1/20 0.31
GLA P06280 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
SCHEMBL7246101 0.90 TBXA2R (0.39) TBXAS1
SCHEMBL7246106 0.90 TBXA2R (0.39) TBXAS1
SCHEMBL4232318 0.88 TBXAS1 (0.34) CYSLTR2CYSLTR1TBXAS1GLA
SCHEMBL4232327 0.88 TBXAS1 (0.34) CYSLTR2CYSLTR1TBXAS1GLA
SCHEMBL4234872 0.86 CYSLTR1 (0.36) CYSLTR2CYSLTR1TBXAS1GLA
SCHEMBL4234878 0.86 CYSLTR1 (0.36) CYSLTR2CYSLTR1TBXAS1GLA
SCHEMBL4376517 0.84 CYSLTR2 (0.38) CYSLTR2CYSLTR1TBXAS1GLA
SCHEMBL4376519 0.84 CYSLTR2 (0.38) CYSLTR2CYSLTR1TBXAS1GLA
SCHEMBL4225688 0.84 TBXA2R (0.33) CYSLTR2CYSLTR1TBXAS1GLA
SCHEMBL4225685 0.84 TBXA2R (0.33) CYSLTR2CYSLTR1TBXAS1GLA

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