SCHEMBL8800147

SCHEMBL8800147

CCOC(=O)CCCOc1cccc(CCCCCCOc2cc(-c3ccccc3)cc(-c3ccccc3)n2)c1CCC(C)(C)O

nearest known ligand 0.68

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 20/20 0.68
LTB4R2 Q9NPC1 2/20 0.68

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
SCHEMBL8799773 0.91 LTB4R (0.82) LTB4RLTB4R2
SCHEMBL8799803 0.86 LTB4R (0.82) LTB4RLTB4R2
SCHEMBL8800385 0.86 LTB4R (0.70) LTB4RLTB4R2
SCHEMBL8801955 0.84 LTB4R (0.66) LTB4RLTB4R2
SCHEMBL8801951 0.84 LTB4R (0.72) LTB4RLTB4R2
SCHEMBL8799718 0.83 LTB4R (0.80) LTB4RLTB4R2
SCHEMBL6757784 0.82 LTB4R (0.72) LTB4RLTB4R2
SCHEMBL8799480 0.81 LTB4R (1.00) LTB4RLTB4R2
SCHEMBL6757554 0.80 LTB4R (0.86) LTB4RLTB4R2
SCHEMBL8799766 0.80 CYP4F2 (0.47) LTB4RLTB4R2

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
EP-0755381-A1 SUBSTITUTED PYRIDINE LEUKOTRIENE B 4 ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 1997-01-29 EP disclosed
WO-1995028386-A1 SUBSTITUTED PYRIDINE LEUKOTRIENE B4 ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 1995-10-26 WO disclosed