SCHEMBL8799543

SCHEMBL8799543

COC(=O)c1ccccc1CCCOc1ccccc1CC(CCCCCCOc1cc(-c2ccccc2)cc(-c2ccccc2)n1)C(=O)OC

nearest known ligand 0.53

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 20/20 0.53
LTB4R2 Q9NPC1 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
SCHEMBL8799259 0.93 LTB4R (0.52) LTB4RLTB4R2
SCHEMBL8801735 0.89 LTB4R (0.51) LTB4RLTB4R2
SCHEMBL6757561 0.88 LTB4R (0.64) LTB4RLTB4R2
SCHEMBL8799732 0.87 LTB4R (0.67) LTB4RLTB4R2
SCHEMBL8800391 0.86 LTB4R (0.55) LTB4RLTB4R2
SCHEMBL8799168 0.85 LTB4R (0.52) LTB4RLTB4R2
SCHEMBL8800392 0.85 LTB4R (0.50) LTB4RLTB4R2
SCHEMBL6757789 0.84 LTB4R (0.58) LTB4RLTB4R2
SCHEMBL8799754 0.84 LTB4R (0.49) LTB4RLTB4R2
SCHEMBL8799922 0.83 LTB4R (0.61) 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