SCHEMBL5822095

SCHEMBL5822095

Cc1nc(N2OCCC2(O)O)ncc1-c1cc(C(F)(F)F)ccc1OCC(=O)O

nearest known ligand 0.48

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 19/20 0.48
PPARD Q03181 1/20 0.39
PPARA Q07869 1/20 0.39

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
SCHEMBL1690261 0.81 PTGDR2 (0.52) PTGDR2
SCHEMBL1753610 0.79 PTGDR2 (0.49) PTGDR2
SCHEMBL1690393 0.79 PTGDR2 (0.49) PTGDR2
SCHEMBL1753792 0.78 PTGDR2 (0.46) PTGDR2
SCHEMBL2112021 0.77 PTGDR2 (0.48) PTGDR2
SCHEMBL1753608 0.77 PTGDR2 (0.47) PTGDR2
SCHEMBL1753556 0.77 PTGDR2 (0.58) PTGDR2
SCHEMBL1690280 0.77 PTGDR2 (0.55) PTGDR2PPARD
SCHEMBL2114849 0.77 PTGDR2 (0.46) PTGDR2
SCHEMBL5764339 0.75 PTGDR2 (0.51) PTGDR2PPARD

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-1611091-A1 NOVEL COMPOUNDS AstraZeneca AB (SE) 2006-01-04 EP claimed
WO-2004089885-A1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2004-10-21 WO claimed