SCHEMBL8799885

SCHEMBL8799885

COC(=O)CCc1c(CCCCCCOS(C)(=O)=O)cccc1OCCCc1cccc(C(=O)OC)c1

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 2/20 0.46
CYP4A11 Q02928 2/20 0.46
LTB4R Q15722 15/20 0.43
LTB4R2 Q9NPC1 6/20 0.43
CYP2C9 P11712 1/20 0.39
FAAH O00519 1/20 0.37
LOXL2 Q9Y4K0 1/20 0.37

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
SCHEMBL8799399 0.88 CYP4A11 (0.61) CYP4F2CYP4A11LTB4RLTB4R2CYP2C9
SCHEMBL8799635 0.87 CYP4F2 (0.49) CYP4F2CYP4A11LTB4RLTB4R2CYP2C9
SCHEMBL8802026 0.86 LTB4R (0.54) LTB4RLTB4R2CYP2C9
SCHEMBL8799337 0.86 LTB4R (0.54) LTB4RLTB4R2CYP2C9
SCHEMBL8800165 0.86 LTB4R (0.54) LTB4RLTB4R2CYP2C9
SCHEMBL9118392 0.86 LTB4R (0.54) LTB4RLTB4R2CYP2C9
SCHEMBL8466646 0.86 LTB4R (0.52) LTB4RLTB4R2CYP2C9
SCHEMBL8800004 0.86 LTB4R (0.54) LTB4RLTB4R2CYP2C9
SCHEMBL8799461 0.85 LTB4R (0.48) LTB4RLTB4R2CYP2C9
SCHEMBL8798963 0.83 LTB4R (0.48) 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 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