SCHEMBL8801951

SCHEMBL8801951

CC(C)(O)CCc1c(CCCCCCOc2cc(-c3ccccc3)cc(-c3ccccc3)n2)cccc1OCCCC(=O)O.O=C(O)CCCCc1ccc(CCCCCCOc2cc(-c3ccccc3)cc(-c3ccccc3)n2)c(CCC(=O)O)c1

nearest known ligand 0.72

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 20/20 0.72
LTB4R2 Q9NPC1 4/20 0.72
CYP2C9 P11712 1/20 0.48

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
SCHEMBL8801955 0.96 LTB4R (0.66) LTB4RLTB4R2CYP2C9
SCHEMBL8799773 0.92 LTB4R (0.82) LTB4RLTB4R2CYP2C9
SCHEMBL8799803 0.87 LTB4R (0.82) LTB4RLTB4R2CYP2C9
SCHEMBL8799541 0.85 LTB4R (0.72) LTB4RLTB4R2
SCHEMBL8799480 0.84 LTB4R (1.00) LTB4RLTB4R2CYP2C9
SCHEMBL8800147 0.84 LTB4R (0.68) LTB4RLTB4R2
SCHEMBL8801833 0.81 LTB4R (0.91) LTB4RLTB4R2CYP2C9
SCHEMBL8800385 0.81 LTB4R (0.70) LTB4RLTB4R2
SCHEMBL8799137 0.80 LTB4R (0.81) LTB4RLTB4R2CYP2C9
SCHEMBL6757554 0.80 LTB4R (0.86) 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
EP-0755381-A1 SUBSTITUTED PYRIDINE LEUKOTRIENE B 4 ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 1997-01-29 EP disclosed