SCHEMBL5764339

SCHEMBL5764339

Cc1nc(N(C)[S+](C)[O-])ncc1-c1cc(C(F)(F)F)ccc1OCC(=O)O

nearest known ligand 0.51

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 19/20 0.51
PPARD Q03181 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
SCHEMBL1690280 0.89 PTGDR2 (0.55) PTGDR2PPARD
SCHEMBL1753685 0.85 PTGDR2 (0.66) PTGDR2
SCHEMBL1690307 0.85 PTGDR2 (0.56) PTGDR2PPARD
SCHEMBL1753556 0.81 PTGDR2 (0.58) PTGDR2
SCHEMBL1753800 0.77 PTGDR2 (0.54) PTGDR2PPARD
SCHEMBL1690261 0.76 PTGDR2 (0.52) PTGDR2
SCHEMBL5822095 0.75 PTGDR2 (0.48) PTGDR2PPARD
SCHEMBL1753610 0.74 PTGDR2 (0.49) PTGDR2
SCHEMBL1690393 0.74 PTGDR2 (0.49) PTGDR2
SCHEMBL1753796 0.72 PTGDR2 (0.65) PTGDR2

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 disclosed
WO-2004089885-A1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2004-10-21 WO disclosed