SCHEMBL5533083

SCHEMBL5533083

CCc1c(OCC(=O)O)ccc(OC(c2ccc(OC(C)C)cc2)c2n[nH]c(-c3ccc4ccccc4c3)n2)c1CC

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 7/20 0.41
PTGDR Q13258 5/20 0.38
GRK6 P43250 2/20 0.37
PDE1A P54750 1/20 0.37
PDE1B Q01064 1/20 0.37
PDE1C Q14123 1/20 0.37
PTPN7 P35236 1/20 0.36
MPO P05164 1/20 0.36
PPARA Q07869 1/20 0.36
PLA2G1B P04054 1/20 0.35
ADORA3 P0DMS8 2/20 0.35
ADORA2A P29274 2/20 0.35

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
SCHEMBL2948145 0.88 PPARD (0.51) PPARDPPARA
SCHEMBL2946664 0.79 PPARD (0.49) PPARDPPARA
SCHEMBL2948370 0.76 PPARD (0.49) PPARDPPARA
SCHEMBL2946652 0.75 PPARD (0.58) PPARDPPARA
SCHEMBL2948560 0.75 PPARD (0.58) PPARDPPARA
SCHEMBL2941706 0.75 PPARD (0.51) PPARDGRK6PPARA
SCHEMBL2941998 0.75 PPARD (0.60) PPARDPPARA
SCHEMBL2944584 0.68 PPARD (0.54) PPARDPPARA
SCHEMBL2946740 0.68 PPARD (0.41) PPARDPPARA
SCHEMBL2946595 0.67 PTGDR (0.40) PPARDPTGDRPPARA

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-1843763-A2 COMPOUNDS AND COMPOSITIONS AS PPAR MODULATORS IRM, LLC (BM) 2007-10-17 EP claimed
WO-2006084176-A2 COMPOUNDS AND COMPOSITIONS AS PPAR MODULATORS IRM LLC (BM) 2006-08-10 WO claimed