SCHEMBL7058628

SCHEMBL7058628

COC(=O)C(CCc1ccc(Cl)cc1[N+](=O)[O-])C(C)=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.46
ALDH1A1 P00352 5/20 0.41
MAPT P10636 3/20 0.41
PLA2G1B P04054 1/20 0.41
ATG4B Q9Y4P1 1/20 0.41
HPGD P15428 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
LMNA P02545 2/20 0.41
MEN1 O00255 1/20 0.41
POLB P06746 1/20 0.41
KMT2A Q03164 1/20 0.41
TP53 P04637 1/20 0.41
MAPK1 P28482 1/20 0.41
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C19 P33261 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
GAA P10253 1/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40

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
SCHEMBL7061413 0.89 L3MBTL1 (0.43) PKMALDH1A1MAPTPLA2G1BATG4B
SCHEMBL7058756 0.88 PKM (0.39) PKMALDH1A1MAPTPLA2G1BATG4B
SCHEMBL7062274 0.85 ALDH1A1 (0.40) PKMALDH1A1LMNAMAPK1CYP3A4
SCHEMBL7061709 0.84 NPC1 (0.45) PKMALDH1A1MAPTHPGDLMNA
SCHEMBL28900016 0.82 L3MBTL1 (0.48) PKMALDH1A1MAPTPLA2G1BATG4B
SCHEMBL7057116 0.82 ALDH1A1 (0.52) ALDH1A1SMN1; SMN2MEN1POLBKMT2A
SCHEMBL7061580 0.76 PKM (0.47) PKMALDH1A1MAPTPLA2G1BATG4B
SCHEMBL5206514 0.75 PDGFRB (0.56) PKMALDH1A1MAPTPLA2G1BATG4B
SCHEMBL27627585 0.75 PKM (0.46) PKMALDH1A1MAPTPLA2G1BATG4B
SCHEMBL7055419 0.75 ALDH1A1 (0.56) ALDH1A1MAPTSMN1; SMN2MEN1POLB

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