SCHEMBL9545804

SCHEMBL9545804

COc1ccc(CCCCOc2ccc(CCc3ccccc3)nc2CCC(=O)O)cc1

nearest known ligand 0.70

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 13/20 0.70
FFAR1 O14842 3/20 0.55
CYSLTR2 Q9NS75 1/20 0.47
CYSLTR1 Q9Y271 1/20 0.47
S1PR1 P21453 3/20 0.47
S1PR3 Q99500 1/20 0.46
S1PR5 Q9H228 1/20 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
SCHEMBL9545799 0.96 LTB4R (0.70) LTB4RFFAR1CYSLTR2CYSLTR1S1PR1
SCHEMBL9545824 0.91 LTB4R (0.81) LTB4R
SCHEMBL8080164 0.89 LTB4R (0.84) LTB4RFFAR1
SCHEMBL9545867 0.88 LTB4R (0.60) LTB4RFFAR1
SCHEMBL8862108 0.87 LTB4R (0.70) LTB4RFFAR1
SCHEMBL8862080 0.83 LTB4R (0.61) LTB4RCYSLTR2CYSLTR1
SCHEMBL8078837 0.83 LTB4R (1.00) LTB4R
SCHEMBL7026815 0.82 LTB4R (0.71) LTB4R
SCHEMBL8078502 0.82 LTB4R (1.00) LTB4R
SCHEMBL8074035 0.82 LTB4R (0.75) LTB4R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1993022285-A1 LEUKOTRIENE ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1993-11-11 WO claimed
WO-1993022285-A1 LEUKOTRIENE ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1993-11-11 WO disclosed