SCHEMBL7564083

SCHEMBL7564083

O=C(O)C(=O)Cc1ccc(O)c([N+](=O)[O-])c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.52
ALDH1A1 P00352 3/20 0.51
MAPK1 P28482 2/20 0.51
HPGD P15428 2/20 0.51
TSHR P16473 2/20 0.51
TP53 P04637 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
GPR35 Q9HC97 1/20 0.51
MAPT P10636 5/20 0.51
NPSR1 Q6W5P4 1/20 0.51
L3MBTL1 Q9Y468 2/20 0.50
HSD17B10 Q99714 2/20 0.50
ALOX15 P16050 1/20 0.50
GRM4 Q14833 1/20 0.49
ALDH5A1 P51649 1/20 0.47
ABAT P80404 1/20 0.47
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA9 Q16790 1/20 0.47

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
SCHEMBL2710180 0.88 MAPT (0.59) POLBALDH1A1MAPK1HPGDTSHR
SCHEMBL231627 0.88 MAPT (0.59) POLBALDH1A1MAPK1HPGDTSHR
Nitric Acid SCHEMBL7984255 0.85 MAPT (0.56) POLBALDH1A1MAPK1HPGDTSHR
SCHEMBL2742575 0.83 MAPT (0.58) POLBALDH1A1MAPK1HPGDTSHR
SCHEMBL13520189 0.83 POLB (0.52) POLBALDH1A1MAPK1HPGDTSHR
SCHEMBL7126615 0.83 POLB (0.52) POLBALDH1A1MAPK1HPGDTSHR
SCHEMBL13519622 0.81 POLB (0.50) POLBALDH1A1MAPK1HPGDTSHR
SCHEMBL69585 0.80 SNCA (0.62) POLBALDH1A1MAPK1HPGDTSHR
SCHEMBL30477507 0.80 SNCA (0.62) POLBALDH1A1MAPK1HPGDTSHR
SCHEMBL11002820 0.80 MAPK1 (0.60) POLBALDH1A1MAPK1HPGDTSHR

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
WO-2002031189-A2 MODEL SYSTEM FOR THE VIVO STUDY OF APOPTOSIS EIRX THERAPEUTIC LIMITED (IE) 2002-04-18 WO disclosed