SCHEMBL4274243

SCHEMBL4274243

O=C(O)/C=C/Oc1cccc(CCCc2cc(C(c3ccccc3)c3ccccc3)c[nH]c2=O)c1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 12/20 0.42
PTGDR Q13258 1/20 0.37
PTGIR P43119 1/20 0.36
HRH1 P35367 1/20 0.35
HAT1 O14929 2/20 0.33
EP300 Q09472 2/20 0.33
MMP13 P45452 1/20 0.33
PPARG P37231 1/20 0.33
PPARA Q07869 1/20 0.33

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
SCHEMBL4268589 0.83 PTGDR2 (0.58) PTGDR2PTGDRPTGIRPPARGPPARA
SCHEMBL4267953 0.82 PTGDR2 (0.59) PTGDR2PTGDRPPARGPPARA
SCHEMBL4274009 0.82 PTGDR2 (0.55) PTGDR2PTGDRPTGIRMMP13
SCHEMBL4271751 0.82 PTGDR2 (0.45) PTGDR2PTGDRPTGIRHAT1EP300
SCHEMBL4271773 0.80 PTGDR2 (0.59) PTGDR2PTGDRPPARGPPARA
SCHEMBL4278192 0.80 PTGDR2 (0.45) PTGDR2PTGDRPTGIRHAT1EP300
SCHEMBL4268719 0.79 CYSLTR2 (0.43) PTGDR2PTGDR
SCHEMBL3165352 0.76 PTGDR2 (0.72) PTGDR2PTGDRPTGIR
SCHEMBL3165344 0.76 PTGDR2 (0.72) PTGDR2PTGDRPTGIR
SCHEMBL4281216 0.73 PTGDR2 (0.49) PTGDR2PTGIRPPARGPPARA

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-2094662-A1 POLYCYCLIC ACID COMPOUNDS USEFUL AS CRTH2 ANTAGONISTS AND ANTIALLERGIC AGENTS Astellas Pharma Inc. (JP) 2009-09-02 EP disclosed
WO-2008072784-A1 POLYCYCLIC ACID COMPOUNDS USEFUL AS CRTH2 ANTAGONISTS AND ANTIALLERGIC AGENTS ASTELLAS PHARMA INC. (JP) 2008-06-19 WO disclosed