SCHEMBL9877877

SCHEMBL9877877

CCCn1cc(Cc2ccc(C(=O)O)cc2OC)c2cc(C(O)C3CCCN(C)C3=O)ccc21

nearest known ligand 0.63

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CYSLTR2 Q9NS75 5/20 0.59
CYSLTR1 Q9Y271 5/20 0.59
PLA2G4A P47712 7/20 0.48
LTB4R Q15722 3/20 0.46

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
SCHEMBL9527588 0.93 CYSLTR2 (0.53) CYSLTR2CYSLTR1PLA2G4A
SCHEMBL9528153 0.88 CYSLTR2 (0.52) CYSLTR2CYSLTR1PLA2G4ALTB4R
SCHEMBL9527319 0.84 CYSLTR2 (0.60) CYSLTR2CYSLTR1PLA2G4ALTB4R
SCHEMBL9528110 0.83 CYSLTR2 (0.52) CYSLTR2CYSLTR1PLA2G4A
SCHEMBL9526810 0.83 CYSLTR2 (0.51) CYSLTR2CYSLTR1PLA2G4A
SCHEMBL9527890 0.82 CYSLTR2 (0.51) CYSLTR2CYSLTR1PLA2G4A
SCHEMBL9527475 0.82 CYSLTR2 (0.58) CYSLTR2CYSLTR1PLA2G4ALTB4R
SCHEMBL9526681 0.80 CYSLTR2 (0.60) CYSLTR2CYSLTR1PLA2G4ALTB4R
SCHEMBL9526691 0.80 CYSLTR2 (0.57) CYSLTR2CYSLTR1PLA2G4ALTB4R
SCHEMBL9526782 0.79 CYSLTR2 (0.57) CYSLTR2CYSLTR1PLA2G4ALTB4R

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
US-5047402-A Leukotriene Antagonists ICI AMERICAS INC. (US) 1991-09-10 US disclosed