SCHEMBL8422187

SCHEMBL8422187

CCOC(=O)COc1cc(OCCc2ccccc2)cc(C(C)=CC(=O)N(CC)CC)c1

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 15/20 0.56
LTB4R2 Q9NPC1 15/20 0.56
PPARG P37231 2/20 0.43
PPARA Q07869 2/20 0.43
PTGES O14684 1/20 0.43
ALOX5 P09917 1/20 0.43
ABCB1 P08183 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
SCHEMBL8420623 0.90 LTB4R (0.68) LTB4RLTB4R2PPARGPTGESALOX5
SCHEMBL8420622 0.90 LTB4R (0.68) LTB4RLTB4R2PPARGPTGESALOX5
SCHEMBL7988072 0.83 LTB4R (0.82) LTB4RLTB4R2
SCHEMBL7990289 0.79 LTB4R (0.71) LTB4RLTB4R2
SCHEMBL7990284 0.79 LTB4R (0.71) LTB4RLTB4R2
SCHEMBL7989763 0.79 LTB4R (0.71) LTB4RLTB4R2
SCHEMBL8599326 0.77 LTB4R (0.69) LTB4RLTB4R2ABCB1
SCHEMBL8570246 0.77 LTB4R (0.69) LTB4RLTB4R2ABCB1
SCHEMBL8560587 0.77 LTB4R (0.57) LTB4RLTB4R2
SCHEMBL8420340 0.76 LTB4R (0.59) LTB4RLTB4R2ABCB1

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-0942903-A1 ARYL-SUBSTITUTED ACRYLAMIDES WITH LEUKOTRIENE B4 (LTB-4) RECEPTOR ANTAGONIST ACTIVITY Novartis AG (CH) 1999-09-22 EP disclosed
WO-1998013347-A1 ARYL-SUBSTITUTED ACRYLAMIDES WITH LEUKOTRIENE B4 (LTB-4) RECEPTOR ANTAGONIST ACTIVITY NOVARTIS AG (CH) 1998-04-02 WO disclosed