SCHEMBL4620667

SCHEMBL4620667

Cc1cc(OCn2cc(-c3ccc(-c4ccccc4)cc3)cn2)c(C2CC2)cc1OCC(=O)O

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 4/20 0.42
PPARG P37231 2/20 0.42
PPARA Q07869 2/20 0.42
PTGDR2 Q9Y5Y4 11/20 0.41
PTGDR Q13258 3/20 0.41
KCNJ6 P48051 1/20 0.39
KCNJ5 P48544 1/20 0.39
KCNJ3 P48549 1/20 0.39
PTGIR P43119 2/20 0.38
FFAR4 Q5NUL3 1/20 0.38
SLC6A9 P48067 1/20 0.37

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
SCHEMBL4620672 0.74 PPARD (0.44) PPARDPPARGPPARAPTGDR2PTGDR
SCHEMBL4178415 0.74 PPARD (0.68) PPARDPPARGPPARAPTGDR2
SCHEMBL4196468 0.67 PPARD (0.51) PPARDPPARGPPARAPTGDR2PTGDR
SCHEMBL4182987 0.67 PPARD (0.57) PPARDPPARAPTGDR2PTGDR
SCHEMBL10730557 0.65 PTGDR2 (0.68) PTGDR2PTGDR
SCHEMBL4185340 0.64 PPARD (0.70) PPARDPPARGPPARAPTGDR2
SCHEMBL5510509 0.64 PPARD (0.52) PPARDPPARGPPARAPTGDR2
SCHEMBL3273104 0.63 PTGDR2 (0.59) PTGDR2PTGDRSLC6A9
SCHEMBL25433566 0.62 L3MBTL1 (0.59) KCNJ6KCNJ5KCNJ3FFAR4
SCHEMBL18780289 0.62 KDM4E (0.49) PPARDPPARGPPARAPTGDR2

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-1945620-A2 COMPOUNDS AND COMPOSITIONS AS PPAR MODULATORS IRM LLC (BM) 2008-07-23 EP disclosed
WO-2007056366-A2 COMPOUNDS AND COMPOSITIONS AS PPAR MODULATORS IRM LLC (BM) 2007-05-18 WO disclosed