SCHEMBL13690348

SCHEMBL13690348

O=C(O)CCCOc1cccc(CCCCCCOc2cc(-c3ccccn3)cc([SH](=O)=O)c2)c1CCC(=O)O

nearest known ligand 0.67

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 20/20 0.67
LTB4R2 Q9NPC1 5/20 0.67
CYP2C9 P11712 1/20 0.65

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
SCHEMBL1689755 0.92 LTB4R (0.78) LTB4RLTB4R2CYP2C9
SCHEMBL13690350 0.89 LTB4R (0.83) LTB4RLTB4R2CYP2C9
SCHEMBL310090 0.85 LTB4R (0.65) LTB4RLTB4R2CYP2C9
SCHEMBL13690365 0.84 LTB4R (0.85) LTB4RLTB4R2CYP2C9
SCHEMBL13690235 0.81 LTB4R (0.68) LTB4RLTB4R2CYP2C9
SCHEMBL1689881 0.81 LTB4R (1.00) LTB4RLTB4R2CYP2C9
SCHEMBL10165267 0.79 LTB4R (0.58) LTB4RLTB4R2CYP2C9
SCHEMBL1689655 0.79 LTB4R (1.00) LTB4RLTB4R2CYP2C9
SCHEMBL1689706 0.78 LTB4R (0.90) LTB4RLTB4R2CYP2C9
SCHEMBL1689778 0.77 LTB4R (0.81) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009109483-A1 LEUKOTRIENE B4 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2009-09-11 WO disclosed