SCHEMBL7061003

SCHEMBL7061003

CCOC(=O)C(CCc1c([N+](=O)[O-])ccc2ccccc12)=NO

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.40
KMT2A Q03164 4/20 0.40
MEN1 O00255 3/20 0.40
KDM4E B2RXH2 2/20 0.40
CES2 O00748 1/20 0.39
ACHE P22303 1/20 0.39
CES1 P23141 1/20 0.39
ALDH1A1 P00352 5/20 0.38
MAPK1 P28482 3/20 0.38
LMNA P02545 2/20 0.38
MITF O75030 1/20 0.38
HSP90AA1 P07900 1/20 0.38
PKM P14618 1/20 0.38
HPGD P15428 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
TLR9 Q9NR96 1/20 0.38
NCEH1 Q6PIU2 4/20 0.38
TDP1 Q9NUW8 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
POLB P06746 1/20 0.36

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
SCHEMBL7060407 0.89 MAPT (0.44) MAPTKMT2AMEN1KDM4EALDH1A1
SCHEMBL7061472 0.88 MAPT (0.44) MAPTKMT2AMEN1KDM4ECES2
SCHEMBL7060603 0.87 MAPT (0.39) MAPTKMT2AMEN1KDM4EALDH1A1
SCHEMBL7057128 0.86 MEN1 (0.42) MAPTKMT2AMEN1KDM4EALDH1A1
SCHEMBL7061776 0.83 TSHR (0.44) MAPTKMT2AMEN1KDM4EALDH1A1
SCHEMBL7062422 0.80 ACHE (0.46) MAPTKMT2AMEN1KDM4ECES2
SCHEMBL7060413 0.78 MAPT (0.48) MAPTKMT2AMEN1KDM4EALDH1A1
SCHEMBL7061764 0.77 CDYL (0.51) KMT2AKDM4EALDH1A1HPGDTDP1
SCHEMBL7061767 0.77 CDYL (0.51) KMT2AKDM4EALDH1A1HPGDTDP1
SCHEMBL7061000 0.76 L3MBTL1 (0.39) MAPTKMT2AMEN1KDM4EALDH1A1

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-0937703-B1 METHOD FOR PURIFYING PYRUVIC ACID COMPOUNDS SUMITOMO CHEMICAL CO (JP) 2003-05-21 EP disclosed
US-6348617-B1 REACTING PYRUVIC ACID COMPOUND IN WATER WITH AMMONIUM OR ALKALI METAL BISULFITE TO GIVE AQUEOUS SOLUTION OF BISULFITE ADDUCT, ISOLATING BY PHASE SEPARATION, OPTIONALLY USING HYDROPHOBIC SOLVENT, CONTACTING WITH ACID TO DECOMPOSE ADDUCT SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2002-02-19 US disclosed
EP-0937703-A1 METHOD FOR PURIFYING PYRUVIC ACID COMPOUNDS SUMITOMO CHEMICAL COMPANY LIMITED (JP) 1999-08-25 EP disclosed