SCHEMBL9118086

SCHEMBL9118086

COC(=O)c1cccc(CCCOc2ccc(CC(CCCCCCOc3cc(-c4ccccc4)cc(-c4ccccc4)n3)C(=O)OC)cc2)c1

nearest known ligand 0.50

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 20/20 0.50

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
SCHEMBL8801735 0.87 LTB4R (0.51) LTB4R
SCHEMBL8799754 0.83 LTB4R (0.49) LTB4R
SCHEMBL8799274 0.81 LTB4R (0.61) LTB4R
SCHEMBL8799165 0.80 LTB4R (0.65) LTB4R
SCHEMBL8800392 0.79 LTB4R (0.50) LTB4R
SCHEMBL8799916 0.76 LTB4R (0.75) LTB4R
SCHEMBL8987164 0.76 LTB4R (0.67) LTB4R
SCHEMBL8799543 0.76 LTB4R (0.53) LTB4R
SCHEMBL8987083 0.74 LTB4R (0.55) LTB4R
SCHEMBL8799534 0.74 LTB4R (0.67) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

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