SCHEMBL5550709

SCHEMBL5550709

O=C(/C=C/c1ccc(O)cc1)Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTR P02766 1/20 0.51
BACE1 P56817 4/20 0.49
PTGS2 P35354 2/20 0.49
PTGS1 P23219 1/20 0.49
MAPT P10636 4/20 0.47
KMT2A Q03164 3/20 0.47
NPSR1 Q6W5P4 2/20 0.47
MEN1 O00255 2/20 0.47
ALDH1A1 P00352 1/20 0.47
MAPK1 P28482 1/20 0.47
HTT P42858 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
MMP1 P03956 1/20 0.45
CYP19A1 P11511 1/20 0.45
MITF O75030 1/20 0.44
RECQL P46063 1/20 0.44
RAB9A P51151 1/20 0.44
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 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
SCHEMBL5550712 1.00 TTR (0.51) TTRBACE1PTGS2PTGS1MAPT
SCHEMBL6906382 0.89 KMT2A (0.53) TTRMAPTKMT2AMEN1ALDH1A1
SCHEMBL6906384 0.89 KMT2A (0.53) TTRMAPTKMT2AMEN1ALDH1A1
SCHEMBL16982147 0.79 CA12 (0.56) BACE1PTGS2PTGS1MAPTALDH1A1
SCHEMBL4655499 0.77 TTR (0.49) TTRMAPTKMT2AMEN1ALDH1A1
SCHEMBL27462458 0.77 LMNA (0.54) TTRPTGS2PTGS1MAPTKMT2A
SCHEMBL9522627 0.76 CYP19A1 (0.55) PTGS2MAPTKMT2ANPSR1MEN1
SCHEMBL9522624 0.76 CYP19A1 (0.55) PTGS2MAPTKMT2ANPSR1MEN1
SCHEMBL5315888 0.75 MAOB (0.61) PTGS2PTGS1MAPTKMT2AMEN1
SCHEMBL9523424 0.75 MAOB (0.61) PTGS2PTGS1MAPTKMT2AMEN1

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
EP-1084269-B1 NOVEL PEROXIDASE SUBSTRATES AND THEIR USE IN CATALYZED REPORTER DEPOSITION PERKINELMER LAS INC (US) 2007-04-25 EP disclosed