SCHEMBL7154247

SCHEMBL7154247

CC(C)OC(=O)/C(CCc1ccc(Cl)cc1[N+](=O)[O-])=N\O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
POLB P06746 1/20 0.39
ALDH1A1 P00352 5/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
PDK1 Q15118 1/20 0.38
ACLY P53396 1/20 0.37
MAPT P10636 3/20 0.37
HPGD P15428 3/20 0.37
LMNA P02545 1/20 0.37
TP53 P04637 1/20 0.37
MAPK1 P28482 1/20 0.37
PKM P14618 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
TDP1 Q9NUW8 3/20 0.36
ALOX15 P16050 1/20 0.36
ALOX12 P18054 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 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
SCHEMBL7154251 1.00 MEN1 (0.39) MEN1KMT2APOLBALDH1A1SMN1; SMN2
SCHEMBL7061740 0.87 PKM (0.43) MEN1KMT2APOLBALDH1A1SMN1; SMN2
SCHEMBL7061738 0.87 PKM (0.43) MEN1KMT2APOLBALDH1A1SMN1; SMN2
SCHEMBL7058793 0.87 PDK1 (0.41) MEN1KMT2APOLBALDH1A1SMN1; SMN2
SCHEMBL7059129 0.86 ALDH1A1 (0.38) MEN1KMT2AALDH1A1SMN1; SMN2PDK1
SCHEMBL7059131 0.86 ALDH1A1 (0.38) MEN1KMT2AALDH1A1SMN1; SMN2PDK1
SCHEMBL7059417 0.85 MEN1 (0.42) MEN1KMT2AALDH1A1PDK1ACLY
SCHEMBL7059420 0.85 MEN1 (0.42) MEN1KMT2AALDH1A1PDK1ACLY
SCHEMBL7060052 0.83 POLB (0.43) MEN1KMT2APOLBALDH1A1SMN1; SMN2
SCHEMBL7644251 0.81 NPC1 (0.44) MEN1KMT2APOLBALDH1A1SMN1; SMN2

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