SCHEMBL4674539

SCHEMBL4674539

CCS(=O)(=O)c1ccc(Oc2cc(O)cc(CC(=O)O)c2)c(Cl)c1

nearest known ligand 0.48

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 18/20 0.48
THRA P10827 1/20 0.43
THRB P10828 1/20 0.43
PTGDR Q13258 2/20 0.42
ALDH1A1 P00352 1/20 0.40

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
SCHEMBL2065952 0.90 PTGDR2 (0.55) PTGDR2PTGDR
SCHEMBL883837 0.89 PTGDR2 (0.48) PTGDR2PTGDR
SCHEMBL885411 0.89 PTGDR2 (0.48) PTGDR2PTGDR
SCHEMBL586145 0.88 NR3C1 (0.48) PTGDR2
SCHEMBL587091 0.88 PTGDR2 (0.47) PTGDR2THRATHRBPTGDR
SCHEMBL586266 0.86 PTGDR2 (0.46) PTGDR2THRATHRB
SCHEMBL883843 0.85 PTGDR2 (0.56) PTGDR2
SCHEMBL10121231 0.85 PTGDR2 (0.45) PTGDR2PTGDR
SCHEMBL10144402 0.85 PTGDR2 (0.45) PTGDR2PTGDR
SCHEMBL1651360 0.83 EPAS1 (0.49) PTGDR2ALDH1A1

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-1937632-A1 NOVEL COMPOUNDS Astra Zeneca AB (SE) 2008-07-02 EP disclosed
WO-2007039736-A1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2007-04-12 WO disclosed