SCHEMBL7060413

SCHEMBL7060413

COC(=O)C(=O)CCc1c([N+](=O)[O-])ccc2ccccc12

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.48
KDM4E B2RXH2 2/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
NCEH1 Q6PIU2 4/20 0.44
NPSR1 Q6W5P4 1/20 0.43
ALDH1A1 P00352 2/20 0.43
HPGD P15428 1/20 0.43
HPRT1 P00492 1/20 0.40
CYP1A2 P05177 1/20 0.40
TSHR P16473 1/20 0.40
HSP90AA1 P07900 1/20 0.39
HNF4A P41235 1/20 0.39
TNF P01375 1/20 0.38
NOD1 Q9Y239 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
SCHEMBL7061472 0.88 MAPT (0.44) MAPTKDM4EMEN1KMT2ANCEH1
SCHEMBL7060407 0.87 MAPT (0.44) MAPTKDM4EMEN1KMT2ANCEH1
SCHEMBL7058010 0.86 KDM4E (0.43) MAPTKDM4EMEN1KMT2ANCEH1
SCHEMBL7062572 0.83 MAPT (0.42) MAPTKDM4EMEN1KMT2ANPSR1
SCHEMBL7057071 0.80 NCEH1 (0.50) MAPTKDM4EMEN1KMT2ANCEH1
SCHEMBL7061003 0.78 MAPT (0.40) MAPTKDM4EMEN1KMT2ANCEH1
SCHEMBL7058542 0.77 NCEH1 (0.43) MAPTKDM4EMEN1KMT2ANCEH1
SCHEMBL7057128 0.77 MEN1 (0.42) MAPTKDM4EMEN1KMT2ANCEH1
SCHEMBL7060894 0.76 NPSR1 (0.54) MAPTKDM4EMEN1KMT2ANPSR1
SCHEMBL9720764 0.75 ALDH1A1 (0.49) MAPTKDM4EMEN1KMT2ANCEH1

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