SCHEMBL27773237

SCHEMBL27773237

COOc1c(C=O)cc([N+](=O)[O-])cc1OC

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 3/20 0.64
ALDH1A1 P00352 4/20 0.50
MAPT P10636 4/20 0.50
KDM4E B2RXH2 3/20 0.50
PRKDC P78527 2/20 0.50
CYP3A4 P08684 1/20 0.50
ALOX15 P16050 1/20 0.50
HSD17B10 Q99714 1/20 0.50
PTGS2 P35354 2/20 0.44
HTT P42858 2/20 0.44
TDP1 Q9NUW8 2/20 0.40
TSHR P16473 1/20 0.40
CYP19A1 P11511 1/20 0.39
KRAS P01116 2/20 0.39
TLR9 Q9NR96 1/20 0.38
POLB P06746 2/20 0.38
MEN1 O00255 1/20 0.38
GAA P10253 1/20 0.38
KMT2A Q03164 1/20 0.38
RECQL P46063 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
SCHEMBL2838581 0.89 ERN1 (0.69) ERN1ALDH1A1MAPTKDM4EPRKDC
SCHEMBL29672629 0.78 ERN1 (1.00) ERN1ALDH1A1MAPTKDM4EPRKDC
SCHEMBL766081 0.78 ERN1 (1.00) ERN1ALDH1A1MAPTKDM4EPRKDC
SCHEMBL10641812 0.78 ERN1 (0.68) ERN1ALDH1A1MAPTKDM4EPRKDC
SCHEMBL29953284 0.78 ERN1 (0.59) ERN1ALDH1A1MAPTKDM4EPRKDC
SCHEMBL15329757 0.77 ERN1 (0.58) ERN1ALDH1A1MAPTKDM4EPRKDC
SCHEMBL31454148 0.76 ERN1 (0.56) ERN1ALDH1A1MAPTKDM4EPRKDC
SCHEMBL15299073 0.76 ERN1 (0.56) ERN1ALDH1A1MAPTKDM4EPRKDC
SCHEMBL6313062 0.76 PTGS2 (0.62) ERN1ALDH1A1MAPTCYP3A4PTGS2
SCHEMBL1530203 0.75 ERN1 (0.55) ERN1ALDH1A1MAPTKDM4EPRKDC

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
CN-101646744-A Time temperature indicator based on oligomeric spiroaromatic compounds FRESHPOINT HOLDINGS SA CH 2010-02-10 CN disclosed