SCHEMBL8965291

SCHEMBL8965291

O=C(O)COc1cc(/C=C/Cn2cc(C(c3ccccc3)c3ccccc3)cn2)ccc1[N+](=O)[O-]

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTGIR P43119 4/20 0.45
MAPT P10636 4/20 0.41
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
POLB P06746 2/20 0.41
LMNA P02545 1/20 0.41
NPC1 O15118 1/20 0.41
ACMSD Q8TDX5 1/20 0.39
PTGDR2 Q9Y5Y4 2/20 0.38
CA2 P00918 1/20 0.37
CA5A P35218 1/20 0.37
CA9 Q16790 1/20 0.37
ALDH1A1 P00352 3/20 0.35
HTT P42858 1/20 0.35
PTGDR Q13258 1/20 0.35
APP P05067 1/20 0.35

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
SCHEMBL8965297 1.00 PTGIR (0.45) PTGIRMAPTMEN1KMT2APOLB
SCHEMBL8965712 0.85 PTGIR (0.48) PTGIRMAPTMEN1KMT2APOLB
SCHEMBL8965715 0.85 PTGIR (0.48) PTGIRMAPTMEN1KMT2APOLB
SCHEMBL8965296 0.84 PTGIR (0.43) PTGIRMAPTMEN1KMT2APTGDR2
SCHEMBL8355259 0.84 PTGIR (0.43) PTGIRMAPTMEN1KMT2APTGDR2
SCHEMBL8965096 0.80 PPARG (0.50) PTGIRMEN1KMT2ALMNAACMSD
SCHEMBL8965101 0.80 PPARG (0.50) PTGIRMEN1KMT2ALMNAACMSD
SCHEMBL8358853 0.76 PPARG (0.44) PTGIRMAPTMEN1KMT2ALMNA
SCHEMBL8965754 0.76 PPARG (0.44) PTGIRMAPTMEN1KMT2ALMNA
SCHEMBL9262923 0.75 PPARG (0.46) PTGIRMEN1KMT2ALMNAACMSD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5378716-A Prostaglandin agonists ONO PHARMACEUTICAL CO., LTD. (JP) 1995-01-03 US claimed
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