SCHEMBL8799704

SCHEMBL8799704

CCOC(=O)CCCOc1cccc(CCCCCCBr)c1CCC(C)(C)O

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 16/20 0.47
LTB4R2 Q9NPC1 12/20 0.47
CYP4F2 P78329 1/20 0.45
CYP4A11 Q02928 1/20 0.45
DHFR P00374 2/20 0.42
CYP2C9 P11712 1/20 0.39

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
SCHEMBL8799766 0.92 CYP4F2 (0.47) LTB4RLTB4R2CYP4F2CYP4A11DHFR
SCHEMBL200601 0.89 LTB4R (0.55) LTB4RLTB4R2CYP4F2CYP4A11DHFR
SCHEMBL10165127 0.86 CYP4F2 (0.49) LTB4RLTB4R2CYP4F2CYP4A11DHFR
SCHEMBL13953922 0.85 LTB4R (0.62) LTB4RLTB4R2CYP2C9
SCHEMBL8800182 0.82 LTB4R (0.47) LTB4RLTB4R2CYP2C9
SCHEMBL200784 0.81 LTB4R (0.55) LTB4RLTB4R2CYP4F2CYP4A11DHFR
SCHEMBL8800147 0.80 LTB4R (0.68) LTB4RLTB4R2
SCHEMBL13175314 0.80 LTB4R (0.54) LTB4RLTB4R2CYP4F2CYP4A11DHFR
SCHEMBL1689620 0.80 LTB4R (0.54) LTB4RLTB4R2CYP4F2CYP4A11DHFR
SCHEMBL12365379 0.79 DHFR (0.48) LTB4RLTB4R2CYP4F2CYP4A11DHFR

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