SCHEMBL8901046

SCHEMBL8901046

COc1cc(C(=O)O)ccc1Cn1ccc(=O)c2ccc(NC(=O)CC3CCCC3)cc21

nearest known ligand 0.80

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CYSLTR2 Q9NS75 8/20 0.64
CYSLTR1 Q9Y271 8/20 0.64
EPHX2 P34913 1/20 0.52
NR1H4 Q96RI1 1/20 0.52

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
SCHEMBL8998153 0.89 EPHX2 (0.66) CYSLTR2CYSLTR1EPHX2NR1H4
SCHEMBL10368401 0.88 CYSLTR2 (0.69) CYSLTR2CYSLTR1
SCHEMBL10368754 0.88 EPHX2 (0.65) CYSLTR2CYSLTR1EPHX2NR1H4
SCHEMBL8899898 0.83 CYSLTR2 (0.53) CYSLTR2CYSLTR1EPHX2NR1H4
SCHEMBL8951214 0.82 CYSLTR2 (0.62) CYSLTR2CYSLTR1EPHX2NR1H4
SCHEMBL8998286 0.82 EPHX2 (0.56) CYSLTR2CYSLTR1EPHX2NR1H4
SCHEMBL8951165 0.82 CYSLTR2 (0.64) CYSLTR2CYSLTR1
SCHEMBL9479233 0.82 CYSLTR2 (0.60) CYSLTR2CYSLTR1
SCHEMBL8951422 0.81 CYSLTR2 (0.65) CYSLTR2CYSLTR1
SCHEMBL8951233 0.79 CYSLTR2 (0.61) CYSLTR2CYSLTR1

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
WO-1997005114-A1 QUINOLONE SULFONIMIDES HAVING LEUKOTRIENE-ANTAGONISTIC ACTION LABORATORIOS MENARINI S.A. (ES) 1997-02-13 WO disclosed