SCHEMBL4275416

SCHEMBL4275416

O=C(O)COc1cccc(CCCNC(CC(c2ccccc2)c2ccccc2)C(=O)c2ccccc2)c1

nearest known ligand 0.60

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ PTGDR2 Q9Y5Y4 9/20 0.60
▸ PTGIR P43119 2/20 0.51
▸ PPARA Q07869 2/20 0.50
▸ PPARG P37231 1/20 0.50
▸ MAPK1 P28482 1/20 0.43
▸ FFAR1 O14842 1/20 0.40
▸ ABCB1 P08183 2/20 0.39

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
SCHEMBL4274289 0.93 PTGDR2 (0.53) PTGDR2PTGIRPPARAPPARGMAPK1
SCHEMBL4274216 0.93 PTGDR2 (0.52) PTGDR2PTGIRPPARAPPARGFFAR1
SCHEMBL4273827 0.89 PTGDR2 (0.51) PTGDR2PTGIRPPARAPPARGMAPK1
SCHEMBL4272582 0.84 PTGDR2 (0.42) PTGDR2
SCHEMBL4276584 0.84 PTGDR2 (0.53) PTGDR2PTGIRPPARAPPARGFFAR1
SCHEMBL4271051 0.80 L3MBTL1 (0.41) PTGDR2PTGIR
SCHEMBL3174468 0.78 PTGDR2 (0.64) PTGDR2PTGIRPPARAPPARGABCB1
SCHEMBL4281834 0.76 RAB9A (0.42) PTGDR2
SCHEMBL3165320 0.75 PTGDR2 (1.00) PTGDR2PTGIRPPARAPPARG
SCHEMBL4274205 0.75 PTGDR2 (0.56) PTGDR2PTGIRPPARAPPARGMAPK1

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
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