SCHEMBL4271985

SCHEMBL4271985

O=C(O)COc1cccc(CCCc2cc(=O)[nH]nc2C(c2ccccc2)c2ccccc2)c1

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 13/20 0.56
PTGIR P43119 2/20 0.50
PPARA Q07869 3/20 0.49
PPARG P37231 2/20 0.49
PTGDR Q13258 1/20 0.46
CYSLTR2 Q9NS75 1/20 0.38
CYSLTR1 Q9Y271 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
SCHEMBL4272320 0.98 PTGDR2 (0.56) PTGDR2PTGIRPPARAPPARGPTGDR
SCHEMBL4272358 0.91 PTGDR2 (0.57) PTGDR2PTGIRPPARAPPARGPTGDR
SCHEMBL4267885 0.85 PTGDR2 (0.41) PTGDR2PTGIRPPARAPPARGPTGDR
SCHEMBL4267501 0.84 PTGDR2 (0.55) PTGDR2PTGIRPPARAPPARGPTGDR
SCHEMBL4276035 0.83 PTGDR2 (0.41) PTGDR2PTGIRPPARAPPARGPTGDR
SCHEMBL4267450 0.81 PTGDR2 (0.43) PTGDR2PTGIRPPARAPPARG
SCHEMBL4272479 0.81 PTGDR2 (0.48) PTGDR2PTGDRCYSLTR2CYSLTR1
SCHEMBL4283470 0.80 ALOX5 (0.41) PTGDR2PPARAPPARG
SCHEMBL4268589 0.79 PTGDR2 (0.58) PTGDR2PTGIRPPARAPPARGPTGDR
SCHEMBL4274010 0.78 PTGDR2 (0.38) PTGDR2PTGDR

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