SCHEMBL4267501

SCHEMBL4267501

C[C@H](Oc1cccc(CCCCc2cc(=O)[nH]nc2C(c2ccccc2)c2ccccc2)c1)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 8/20 0.55
PTGDR Q13258 1/20 0.41
PPARG P37231 3/20 0.40
PPARA Q07869 3/20 0.40
PPARD Q03181 2/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
ADRB3 P13945 5/20 0.37
CYSLTR2 Q9NS75 1/20 0.36
CYSLTR1 Q9Y271 1/20 0.36
PTGIR P43119 1/20 0.36
ALOX5 P09917 1/20 0.36

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
SCHEMBL4267944 0.86 PTGDR2 (0.43) PTGDR2PPARGPPARAPPARDALDH1A1
SCHEMBL4272320 0.86 PTGDR2 (0.56) PTGDR2PTGDRPPARGPPARACYSLTR2
SCHEMBL4276035 0.86 PTGDR2 (0.41) PTGDR2PTGDRPPARGPPARAPTGIR
SCHEMBL4271717 0.85 PTGDR2 (0.41) PTGDR2PPARGPPARAPPARDADRB3
SCHEMBL4271985 0.84 PTGDR2 (0.56) PTGDR2PTGDRPPARGPPARACYSLTR2
SCHEMBL4267885 0.84 PTGDR2 (0.41) PTGDR2PTGDRPPARGPPARAPTGIR
SCHEMBL4281384 0.84 PTGDR2 (0.39) PTGDR2PPARGALDH1A1ADRB3
SCHEMBL4272568 0.83 PTGDR2 (0.41) PTGDR2PPARGPPARAPPARDADRB3
SCHEMBL4272358 0.82 PTGDR2 (0.57) PTGDR2PTGDRPPARGPPARACYSLTR2
SCHEMBL4271773 0.78 PTGDR2 (0.59) PTGDR2PTGDRPPARGPPARAPPARD

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