SCHEMBL4276584

SCHEMBL4276584

O=C(O)COc1cccc(CCCNC(CC(c2ccccc2)c2ccccc2)C(=O)C2CCCC2)c1

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ PTGDR2 Q9Y5Y4 8/20 0.53
▸ PTGIR P43119 2/20 0.49
▸ PPARA Q07869 2/20 0.46
▸ PPARG P37231 1/20 0.46
▸ FKBP1A P62942 2/20 0.38
▸ FFAR1 O14842 1/20 0.37
▸ CTSL P07711 1/20 0.37
▸ CTSB P07858 1/20 0.37
▸ CTSS P25774 1/20 0.37
▸ CTSK P43235 1/20 0.37

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
SCHEMBL4275416 0.84 PTGDR2 (0.60) PTGDR2PTGIRPPARAPPARGFFAR1
SCHEMBL4274289 0.80 PTGDR2 (0.53) PTGDR2PTGIRPPARAPPARG
SCHEMBL4274216 0.79 PTGDR2 (0.52) PTGDR2PTGIRPPARAPPARGFFAR1
SCHEMBL3174468 0.77 PTGDR2 (0.64) PTGDR2PTGIRPPARAPPARG
SCHEMBL3174387 0.76 PTGDR2 (0.72) PTGDR2PTGIRPPARAPPARGFKBP1A
SCHEMBL4273827 0.76 PTGDR2 (0.51) PTGDR2PTGIRPPARAPPARG
SCHEMBL8803298 0.72 PTGDR2 (0.60) PTGDR2PTGIRPPARAPPARG
SCHEMBL2769715 0.71 PPARA (0.74) PTGDR2PTGIRPPARAPPARGFFAR1
SCHEMBL3169110 0.70 PPARA (0.72) PTGDR2PTGIRPPARAPPARGFFAR1
SCHEMBL8804548 0.70 PTGDR2 (0.57) PTGDR2PTGIRPPARAPPARG

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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