SCHEMBL9516909

SCHEMBL9516909

CCOC(=O)/C=C/c1ccc([N+](=N)[O-])cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.63
CA1 P00915 1/20 0.63
CA2 P00918 1/20 0.63
CA7 P43166 1/20 0.63
CA9 Q16790 1/20 0.63
CA14 Q9ULX7 1/20 0.63
CYP3A4 P08684 1/20 0.56
TTR P02766 1/20 0.55
DPP4 P27487 1/20 0.55
MAOB P27338 2/20 0.50
FDPS P14324 1/20 0.48
POLB P06746 1/20 0.47
MAPT P10636 3/20 0.46
KMT2A Q03164 2/20 0.46
PKM P14618 1/20 0.46
ESR1 P03372 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
MEN1 O00255 1/20 0.44
LMNA P02545 1/20 0.44
MAPK1 P28482 1/20 0.44

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
SCHEMBL13957414 0.87 CA12 (0.65) CA12CA1CA2CA7CA9
SCHEMBL275824 0.87 CA12 (0.65) CA12CA1CA2CA7CA9
SCHEMBL845971 0.87 CA12 (0.65) CA12CA1CA2CA7CA9
SCHEMBL9689365 0.84 CA12 (0.45) CA12CA1CA2CA7CA9
SCHEMBL9518247 0.84 APP (0.60) CA12CA1CA2CA7CA9
SCHEMBL13957401 0.84 CA12 (0.86) CA12CA1CA2CA7CA9
SCHEMBL10939791 0.84 CA12 (0.86) CA12CA1CA2CA7CA9
SCHEMBL5059085 0.84 CA12 (0.86) CA12CA1CA2CA7CA9
SCHEMBL1260527 0.82 CA12 (0.83) CA12CA1CA2CA7CA9
SCHEMBL3143890 0.82 CA12 (0.83) CA12CA1CA2CA7CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0323127-B1 Resin composition containing smectic liquid crystal POLYPLASTICS CO (JP) 1993-12-22 EP disclosed
US-5068052-A Polyoxymethylene resin and liquid crystal polyester for films or fibers POLYPLASTICS CO., LTD. (JP) 1991-11-26 US disclosed
EP-0323127-A2 Resin composition containing smectic liquid crystal POLYPLASTICS CO. LTD. (JP) 1989-07-05 EP disclosed