SCHEMBL8965280

SCHEMBL8965280

O=C(O)COc1cccc(CCCc2nc(C(c3ccccc3)c3ccccc3)no2)c1

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 11/20 0.55
PTGIR P43119 2/20 0.51
PPARA Q07869 2/20 0.50
PPARG P37231 1/20 0.50
PTGDR Q13258 1/20 0.44
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
PKM P14618 1/20 0.41
POLB P06746 1/20 0.41
CYSLTR2 Q9NS75 1/20 0.40
CYSLTR1 Q9Y271 1/20 0.40

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
SCHEMBL8358333 0.90 MEN1 (0.45) PTGDR2PTGIRPPARAPPARGPTGDR
SCHEMBL8965293 0.84 PKM (0.45) PTGDR2PTGDRMEN1KMT2APKM
SCHEMBL8965129 0.82 PTGDR2 (0.55) PTGDR2PTGIRPPARAPPARGPTGDR
SCHEMBL8965343 0.81 PTGDR2 (0.56) PTGDR2PTGIRPPARAPPARGPTGDR
SCHEMBL8965929 0.80 PTGDR2 (0.61) PTGDR2PTGIRPPARAPPARGPTGDR
SCHEMBL8354926 0.78 ALDH1A1 (0.46) MEN1KMT2APKMPOLB
SCHEMBL2769715 0.77 PPARA (0.74) PTGDR2PTGIRPPARAPPARG
SCHEMBL8965420 0.76 PTGDR2 (0.61) PTGDR2PTGIRPPARAPPARGPTGDR
SCHEMBL8965283 0.76 PTGDR2 (0.57) PTGDR2PTGIRPPARAPPARGPTGDR
SCHEMBL8965898 0.75 PTGDR2 (0.50) PTGDR2PTGIRPPARAPPARGPTGDR

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0558062-A2 Phenoxyacetic acid derivatives and pharmaceutical compositions containing them ONO PHARMACEUTICAL CO., LTD. (JP) 1993-09-01 EP claimed
US-5536736-A CARDIOVASCULAR DISORDERS ONO PHARMACEUTICAL CO., LTD. (JP) 1996-07-16 US disclosed
US-5378716-A Prostaglandin agonists ONO PHARMACEUTICAL CO., LTD. (JP) 1995-01-03 US disclosed
EP-0558062-A2 Phenoxyacetic acid derivatives and pharmaceutical compositions containing them ONO PHARMACEUTICAL CO., LTD. (JP) 1993-09-01 EP disclosed