SCHEMBL8965296

SCHEMBL8965296

O=C(O)COc1ccc([N+](=O)[O-])c(/C=C/Cn2cc(C(c3ccccc3)c3ccccc3)cn2)c1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTGIR P43119 4/20 0.43
BACE1 P56817 1/20 0.42
MAPT P10636 2/20 0.41
ALDH1A1 P00352 2/20 0.40
SIRT5 Q9NXA8 3/20 0.39
PTGDR2 Q9Y5Y4 2/20 0.38
AURKA O14965 1/20 0.38
GSK3A P49840 1/20 0.38
GSK3B P49841 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
PTPN7 P35236 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
SCHEMBL8355259 1.00 PTGIR (0.43) PTGIRBACE1MAPTALDH1A1SIRT5
SCHEMBL8965328 0.85 PTGIR (0.46) PTGIRPTGDR2MEN1KMT2APTPN7
SCHEMBL8355223 0.85 PTGIR (0.46) PTGIRPTGDR2MEN1KMT2APTPN7
SCHEMBL8965297 0.84 PTGIR (0.45) PTGIRMAPTALDH1A1PTGDR2MEN1
SCHEMBL8965291 0.84 PTGIR (0.45) PTGIRMAPTALDH1A1PTGDR2MEN1
SCHEMBL8965101 0.82 PPARG (0.50) PTGIRPTGDR2MEN1KMT2APTPN7
SCHEMBL8965096 0.82 PPARG (0.50) PTGIRPTGDR2MEN1KMT2APTPN7
SCHEMBL9262923 0.77 PPARG (0.46) PTGIRALDH1A1PTGDR2MEN1KMT2A
SCHEMBL8965136 0.77 PPARG (0.46) PTGIRALDH1A1PTGDR2MEN1KMT2A
SCHEMBL8358853 0.76 PPARG (0.44) PTGIRMAPTALDH1A1PTGDR2MEN1

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