SCHEMBL8799534

SCHEMBL8799534

COC(=O)CCCOc1ccc(CC(OCCCCCOc2cc(-c3ccccc3)cc(-c3ccccc3)n2)C(=O)OC)cc1

nearest known ligand 0.67

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 20/20 0.67
LTB4R2 Q9NPC1 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
SCHEMBL8798911 0.86 LTB4R (0.67) LTB4RLTB4R2
SCHEMBL8800121 0.85 LTB4R (0.55) LTB4RLTB4R2
SCHEMBL8799274 0.84 LTB4R (0.61) LTB4R
SCHEMBL8987111 0.81 LTB4R (1.00) LTB4R
SCHEMBL8799165 0.80 LTB4R (0.65) LTB4R
SCHEMBL8799511 0.79 LTB4R (0.55) LTB4RLTB4R2
SCHEMBL9119163 0.79 PPARG (0.43)
SCHEMBL8799160 0.77 LTB4R (0.71) LTB4RLTB4R2
SCHEMBL6757526 0.77 LTB4R (0.62) LTB4R
SCHEMBL8799505 0.77 ITGB3 (0.43)

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