SCHEMBL13175138

SCHEMBL13175138

CCOc1cc(OCCCCCCc2cccc(OCCCC(=O)O)c2CCC(=O)O)cc(-c2ccc(O)c(O)c2)c1

nearest known ligand 0.70

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 20/20 0.70
LTB4R2 Q9NPC1 5/20 0.70
CYP2C9 P11712 2/20 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
SCHEMBL13175171 0.90 LTB4R (0.64) LTB4RLTB4R2CYP2C9
SCHEMBL200665 0.90 LTB4R (0.86) LTB4RLTB4R2CYP2C9
SCHEMBL13175194 0.90 LTB4R (0.70) LTB4RLTB4R2CYP2C9
SCHEMBL13174996 0.90 LTB4R (0.56) LTB4RLTB4R2CYP2C9
SCHEMBL201167 0.89 LTB4R (0.87) LTB4RLTB4R2CYP2C9
SCHEMBL13690426 0.89 LTB4R (0.65) LTB4RLTB4R2CYP2C9
SCHEMBL200956 0.89 LTB4R (0.74) LTB4RLTB4R2CYP2C9
SCHEMBL13175183 0.89 LTB4R (0.69) LTB4RLTB4R2CYP2C9
SCHEMBL200844 0.88 LTB4R (0.78) LTB4RLTB4R2CYP2C9
SCHEMBL200794 0.88 LTB4R (0.74) 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-2010108856-A1 LEUKOTRIENE B4 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2010-09-30 WO disclosed