SCHEMBL8799541

SCHEMBL8799541

O=C(O)CCCCc1ccc(CCCCCCOc2cc(-c3ccccc3)cc(-c3ccccc3)n2)c(CCC(=O)O)c1

nearest known ligand 0.72

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 20/20 0.72
LTB4R2 Q9NPC1 1/20 0.66

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
SCHEMBL8799481 0.88 LTB4R (0.69) LTB4RLTB4R2
SCHEMBL8799365 0.87 LTB4R (0.61) LTB4RLTB4R2
SCHEMBL8801951 0.85 LTB4R (0.72) LTB4RLTB4R2
SCHEMBL8987440 0.85 LTB4R (1.00) LTB4R
SCHEMBL6757530 0.85 LTB4R (1.00) LTB4R
SCHEMBL8987039 0.84 LTB4R (1.00) LTB4R
SCHEMBL8801955 0.81 LTB4R (0.66) LTB4RLTB4R2
SCHEMBL6760596 0.81 LTB4R (1.00) LTB4RLTB4R2
SCHEMBL8799480 0.80 LTB4R (1.00) LTB4RLTB4R2
SCHEMBL8987391 0.79 LTB4R (1.00) 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 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