SCHEMBL4616098

SCHEMBL4616098

COc1ccc(CCN(CCc2ccccc2)C(=O)c2cccc(Oc3ccc(OC(C)=O)c(C)c3)c2)cc1

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 14/20 0.56
LPAR5 Q9H1C0 6/20 0.56
LPAR3 Q9UBY5 1/20 0.44
ALOX5 P09917 2/20 0.43
SLC2A1 P11166 1/20 0.42
MCHR1 Q99705 1/20 0.41
PTGDR2 Q9Y5Y4 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
SCHEMBL4616094 0.88 LPAR1 (0.55) LPAR1LPAR5PTGDR2
SCHEMBL4635051 0.86 PPARG (0.56) LPAR1LPAR5
SCHEMBL14543897 0.85 LPAR1 (0.52) LPAR1LPAR5LPAR3ALOX5SLC2A1
SCHEMBL4616750 0.82 PPARD (0.51) LPAR1LPAR5PTGDR2
SCHEMBL5408677 0.81 PPARG (0.57) LPAR1LPAR5
SCHEMBL5422967 0.78 LPAR1 (0.57) LPAR1LPAR5LPAR3PTGDR2
SCHEMBL4616946 0.77 LPAR1 (0.51) LPAR1LPAR5
SCHEMBL4616341 0.77 PPARD (0.64)
SCHEMBL4616570 0.77 LPAR1 (0.55) LPAR1LPAR5
SCHEMBL14289659 0.76 LPAR1 (0.45) LPAR1LPAR5

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1697304-B1 PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR MODULATORS LILLY CO ELI (US) 2008-02-20 EP disclosed
EP-1697304-A1 PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2006-09-06 EP disclosed
WO-2005054176-A1 PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2005-06-16 WO disclosed