SCHEMBL8799635

SCHEMBL8799635

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

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 2/20 0.49
CYP4A11 Q02928 2/20 0.49
LTB4R Q15722 13/20 0.44
LTB4R2 Q9NPC1 7/20 0.44
LOXL2 Q9Y4K0 1/20 0.40
CYP2C9 P11712 1/20 0.39
FAAH O00519 1/20 0.39
DHODH Q02127 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
SCHEMBL8799399 0.91 CYP4A11 (0.61) CYP4F2CYP4A11LTB4RLTB4R2LOXL2
SCHEMBL8799885 0.87 CYP4F2 (0.46) CYP4F2CYP4A11LTB4RLTB4R2LOXL2
SCHEMBL8464377 0.85 LTB4R (0.53) LTB4RLTB4R2CYP2C9
SCHEMBL8799314 0.84 LTB4R (0.49) LTB4RLTB4R2CYP2C9
SCHEMBL6760695 0.84 LTB4R (0.57) LTB4RLTB4R2CYP2C9
SCHEMBL8799275 0.83 CYP4F2 (0.57) CYP4F2CYP4A11LTB4RLTB4R2LOXL2
SCHEMBL8798860 0.83 CYP4F2 (0.46) CYP4F2CYP4A11LTB4RLTB4R2LOXL2
SCHEMBL8799643 0.78 CYP4F2 (0.45) CYP4F2CYP4A11LOXL2FAAH
SCHEMBL8800014 0.76 CYP4F2 (0.40) CYP4F2CYP4A11LTB4RLTB4R2
SCHEMBL8800299 0.75 LTB4R (0.50) LTB4RLTB4R2CYP2C9DHODH

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