SCHEMBL4267953

SCHEMBL4267953

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

nearest known ligand 0.59

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 9/20 0.59
PTGDR Q13258 1/20 0.40
PPARG P37231 2/20 0.40
PPARA Q07869 2/20 0.40
PPARD Q03181 1/20 0.40
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
ADRB3 P13945 5/20 0.38
CYP2C9 P11712 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
SCHEMBL4271773 0.98 PTGDR2 (0.59) PTGDR2PTGDRPPARGPPARAPPARD
SCHEMBL4267950 0.86 PTGDR2 (0.46) PTGDR2ALDH1A1MAPTADRB3CYP2C9
SCHEMBL4268388 0.85 PTGDR2 (0.42) PTGDR2PPARGPPARAALDH1A1ADRB3
SCHEMBL4271751 0.85 PTGDR2 (0.45) PTGDR2PTGDRPPARGPPARA
SCHEMBL4268589 0.85 PTGDR2 (0.58) PTGDR2PTGDRPPARGPPARA
SCHEMBL4271611 0.85 PTGDR2 (0.44) PTGDR2PPARGPPARAPPARDALDH1A1
SCHEMBL4274009 0.83 PTGDR2 (0.55) PTGDR2PTGDR
SCHEMBL4278192 0.83 PTGDR2 (0.45) PTGDR2PTGDRPPARGPPARA
SCHEMBL4274214 0.83 PTGDR2 (0.43) PTGDR2PPARGPPARAPPARDALDH1A1
SCHEMBL4276034 0.82 PTGDR2 (0.44) PTGDR2PPARGPPARAADRB3CYP2C9

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