SCHEMBL9539550

SCHEMBL9539550

O=C(O)COc1cccc(CCCc2cc(C(c3cccnc3)c3cccnc3)on2)c1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 8/20 0.47
PPARA Q07869 2/20 0.47
PPARG P37231 1/20 0.47
PTGIR P43119 2/20 0.46
CA12 O43570 2/20 0.41
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
CA4 P22748 2/20 0.41
CA9 Q16790 2/20 0.41
GPR132 Q9UNW8 2/20 0.40
PTGER2 P43116 2/20 0.40
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39
ROCK2 O75116 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
SCHEMBL8965898 0.98 PTGDR2 (0.50) PTGDR2PPARAPPARGPTGIRCA12
SCHEMBL8965343 0.90 PTGDR2 (0.56) PTGDR2PPARAPPARGPTGIR
SCHEMBL8965284 0.82 PTGDR2 (0.48) PTGDR2PPARAPPARGPTGIR
SCHEMBL8358368 0.81 MEN1 (0.47) PTGDR2PPARAPPARGPTGIR
SCHEMBL2770489 0.80 PPARA (0.62) PTGDR2PPARAPPARGPTGIRCA12
SCHEMBL8358170 0.78 CYP4F2 (0.48) PTGDR2
SCHEMBL8965728 0.77 PTGDR2 (0.57) PTGDR2PPARAPPARGPTGIRCA12
SCHEMBL8965129 0.77 PTGDR2 (0.55) PTGDR2PPARAPPARGPTGIR
SCHEMBL8354882 0.76 PPARA (0.55) PTGDR2PPARAPPARGPTGIR
SCHEMBL8802973 0.74 PTGIR (0.48) PTGDR2PPARAPPARGPTGIRCA12

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 1 patent. 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