SCHEMBL8464377

SCHEMBL8464377

COC(=O)CCCOc1cccc(CCCCCCI)c1CCC(=O)OC

nearest known ligand 0.53

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 18/20 0.53
LTB4R2 Q9NPC1 8/20 0.53
CYP2C9 P11712 1/20 0.46
PPARD Q03181 1/20 0.42
MAPT P10636 1/20 0.41

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
SCHEMBL6760695 0.96 LTB4R (0.57) LTB4RLTB4R2CYP2C9
SCHEMBL8463994 0.89 LTB4R (0.54) LTB4RLTB4R2CYP2C9PPARD
SCHEMBL8799314 0.88 LTB4R (0.49) LTB4RLTB4R2CYP2C9PPARDMAPT
SCHEMBL9119987 0.86 LTB4R (0.58) LTB4RLTB4R2CYP2C9
SCHEMBL9119413 0.86 LTB4R (0.58) LTB4RLTB4R2CYP2C9
SCHEMBL9121586 0.86 LTB4R (0.58) LTB4RLTB4R2CYP2C9
SCHEMBL9119183 0.86 LTB4R (0.58) LTB4RLTB4R2CYP2C9
SCHEMBL9121682 0.86 LTB4R (0.58) LTB4RLTB4R2CYP2C9
SCHEMBL1689648 0.85 LTB4R (0.50) LTB4RLTB4R2CYP2C9PPARD
SCHEMBL8799635 0.85 CYP4F2 (0.49) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0682662-B1 BICYCLIC CARBOXYLIC ACID LEUKOTRIENE B4 ANTAGONISTS HOFFMANN LA ROCHE (CH) 1999-08-18 EP disclosed
EP-0755381-A1 SUBSTITUTED PYRIDINE LEUKOTRIENE B 4 ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 1997-01-29 EP disclosed
EP-0682662-A1 BICYCLIC CARBOXYLIC ACID LEUKOTRIENE B 4? ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 1995-11-22 EP disclosed
WO-1995028386-A1 SUBSTITUTED PYRIDINE LEUKOTRIENE B4 ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 1995-10-26 WO disclosed
US-5457124-A Antiinflammatory agent HOFFMANN-LA ROCHE INC. (US) 1995-10-10 US disclosed
WO-1995015956-A1 BICYCLIC CARBOXYLIC ACID LEUKOTRIENE B4 ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 1995-06-15 WO disclosed