SCHEMBL4268589

SCHEMBL4268589

O=C(O)COc1cccc(CCCc2cc(C(c3ccccc3)c3ccccc3)c[nH]c2=O)c1

nearest known ligand 0.58

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 13/20 0.58
PTGIR P43119 2/20 0.51
PPARA Q07869 2/20 0.50
PPARG P37231 1/20 0.50
PTGDR Q13258 1/20 0.44
DPYD Q12882 1/20 0.40
LMNA P02545 1/20 0.38

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
SCHEMBL4274009 0.90 PTGDR2 (0.55) PTGDR2PTGIRPTGDR
SCHEMBL4281216 0.89 PTGDR2 (0.49) PTGDR2PTGIRPPARAPPARGDPYD
SCHEMBL4270407 0.85 PTGDR2 (0.41) PTGDR2PTGIRPPARG
SCHEMBL4267953 0.85 PTGDR2 (0.59) PTGDR2PPARAPPARGPTGDR
SCHEMBL4271751 0.84 PTGDR2 (0.45) PTGDR2PTGIRPPARAPPARGPTGDR
SCHEMBL4268719 0.84 CYSLTR2 (0.43) PTGDR2PTGDR
SCHEMBL4268671 0.83 PTGDR2 (0.46) PTGDR2PTGIRDPYDLMNA
SCHEMBL4274243 0.83 PTGDR2 (0.42) PTGDR2PTGIRPPARAPPARGPTGDR
SCHEMBL4276626 0.83 L3MBTL1 (0.42) PTGDR2PTGIR
SCHEMBL4270241 0.83 PTGDR2 (0.46) PTGDR2PTGIRDPYD

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