SCHEMBL7055419

SCHEMBL7055419

COC(=O)C(CCc1ccccc1[N+](=O)[O-])C(=O)OC

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.56
POLB P06746 2/20 0.51
CYP2C19 P33261 2/20 0.51
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
PTPN1 P18031 1/20 0.48
L3MBTL1 Q9Y468 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
TSHR P16473 1/20 0.46
MAOB P27338 1/20 0.46
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
NPSR1 Q6W5P4 2/20 0.44
MAPT P10636 1/20 0.44

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
SCHEMBL7057116 0.93 ALDH1A1 (0.52) ALDH1A1POLBCYP2C19MEN1KMT2A
SCHEMBL7058019 0.87 L3MBTL1 (0.62) ALDH1A1POLBCYP2C19MEN1KMT2A
SCHEMBL4659007 0.87 ALDH1A1 (0.55) ALDH1A1POLBCYP2C19MEN1KMT2A
SCHEMBL31207339 0.87 ALDH1A1 (0.57) ALDH1A1POLBCYP2C19MEN1KMT2A
SCHEMBL7061954 0.81 L3MBTL1 (0.55) ALDH1A1POLBCYP2C19MEN1KMT2A
SCHEMBL4314662 0.81 ALDH1A1 (0.54) ALDH1A1POLBCYP2C19MEN1KMT2A
SCHEMBL7061548 0.80 ALDH1A1 (0.48) ALDH1A1POLBCYP2C19MEN1KMT2A
SCHEMBL7058762 0.80 POLB (0.46) ALDH1A1POLBCYP2C19MEN1KMT2A
SCHEMBL27973237 0.79 L3MBTL1 (0.66) ALDH1A1POLBCYP2C19MEN1KMT2A
SCHEMBL27973235 0.79 L3MBTL1 (0.66) ALDH1A1POLBCYP2C19MEN1KMT2A

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