SCHEMBL8798909

SCHEMBL8798909

O=C(O)CCc1c(CCCCCCOc2cc(-c3ccccc3)cc(-c3ccccc3)n2)cccc1OCc1ccccc1C(=O)O

nearest known ligand 0.82

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 20/20 0.82
LTB4R2 Q9NPC1 3/20 0.82
CYP2C9 P11712 1/20 0.53

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
SCHEMBL8798984 0.94 LTB4R (0.86) LTB4RLTB4R2CYP2C9
SCHEMBL9118541 0.93 LTB4R (0.75) LTB4RLTB4R2CYP2C9
SCHEMBL8799480 0.90 LTB4R (1.00) LTB4RLTB4R2CYP2C9
SCHEMBL8798862 0.89 LTB4R (0.78) LTB4RLTB4R2CYP2C9
SCHEMBL8799932 0.89 LTB4R (0.78) LTB4RLTB4R2CYP2C9
SCHEMBL8799248 0.87 LTB4R (0.67) LTB4RLTB4R2
SCHEMBL8801833 0.86 LTB4R (0.91) LTB4RLTB4R2CYP2C9
SCHEMBL8799137 0.85 LTB4R (0.81) LTB4RLTB4R2CYP2C9
SCHEMBL8799803 0.84 LTB4R (0.82) LTB4RLTB4R2CYP2C9
SCHEMBL8799623 0.84 LTB4R (0.82) LTB4RLTB4R2CYP2C9

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 4 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 claimed
WO-1995028386-A1 SUBSTITUTED PYRIDINE LEUKOTRIENE B4 ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 1995-10-26 WO claimed
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