SCHEMBL9518247

SCHEMBL9518247

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

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
APP P05067 8/20 0.60
HCAR2 Q8TDS4 2/20 0.47
ESR1 P03372 1/20 0.45
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA7 P43166 1/20 0.45
CA9 Q16790 1/20 0.45
CA14 Q9ULX7 1/20 0.45
SMN1; SMN2 Q16637 3/20 0.44
LMNA P02545 1/20 0.44
ALOX5 P09917 2/20 0.44
HTT P42858 2/20 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
SCHEMBL11798827 0.87 APP (0.61) APPSMN1; SMN2LMNA
SCHEMBL10482468 0.87 APP (0.76) APPHCAR2ESR1CA12CA1
SCHEMBL9516909 0.84 CA12 (0.63) ESR1CA12CA1CA2CA7
SCHEMBL4623195 0.83 APP (0.60) APPSMN1; SMN2LMNA
SCHEMBL4623193 0.83 APP (0.60) APPSMN1; SMN2LMNA
SCHEMBL15367594 0.81 SMN1; SMN2 (0.55) APPSMN1; SMN2
SCHEMBL974015 0.81 APP (0.69) APPHCAR2ESR1CA12CA1
SCHEMBL19359004 0.81 APP (0.73) APPHCAR2ESR1CA12CA1
SCHEMBL10299697 0.81 APP (0.73) APPHCAR2ESR1CA12CA1
SCHEMBL10936221 0.81 APP (0.69) APPHCAR2ESR1CA12CA1

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