SCHEMBL7056809

SCHEMBL7056809

CC(C)(C)OC(=O)C(/C=N\O)CCc1ccccc1[N+](=O)[O-]

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.41
MEN1 O00255 3/20 0.41
POLB P06746 1/20 0.40
CYP2C19 P33261 1/20 0.40
ALDH1A1 P00352 4/20 0.38
HTT P42858 1/20 0.38
MAOB P27338 1/20 0.38
HPGD P15428 1/20 0.37
ITGA4 P13612 1/20 0.37
ITGB7 P26010 1/20 0.37
TSHR P16473 1/20 0.37
NPSR1 Q6W5P4 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 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
SCHEMBL7061548 0.87 ALDH1A1 (0.48) KMT2AMEN1POLBCYP2C19ALDH1A1
SCHEMBL7062420 0.86 L3MBTL1 (0.46) KMT2AMEN1POLBCYP2C19ALDH1A1
SCHEMBL7060048 0.85 POLB (0.43) KMT2AMEN1POLBCYP2C19ALDH1A1
SCHEMBL7062399 0.82 KMT2A (0.42) KMT2AMEN1POLBCYP2C19ALDH1A1
SCHEMBL7061339 0.82 CTSK (0.44) ITGA4ITGB7TSHRSMN1; SMN2
SCHEMBL7060196 0.79 MAOB (0.43) KMT2AMEN1POLBCYP2C19ALDH1A1
SCHEMBL10904975 0.72 CTSK (0.47) KMT2AMEN1CYP2C19ALDH1A1HTT
SCHEMBL7056811 0.71 KMT2A (0.46) KMT2AMEN1POLBCYP2C19ALDH1A1
SCHEMBL7057183 0.71 ALDH1A1 (0.46) KMT2AMEN1POLBCYP2C19ALDH1A1
SCHEMBL8805015 0.71 MEN1 (0.51) KMT2AMEN1POLBCYP2C19ALDH1A1

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