SCHEMBL7062576

SCHEMBL7062576

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.42
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
TSHR P16473 1/20 0.41
MAPT P10636 5/20 0.40
CTSL P07711 3/20 0.40
ALDH1A1 P00352 2/20 0.40
LMNA P02545 2/20 0.40
KDM4E B2RXH2 1/20 0.40
USP2 O75604 1/20 0.40
CYP1A2 P05177 1/20 0.39
CYP2C19 P33261 1/20 0.39
KCNH2 Q12809 2/20 0.38
KCNJ1 P48048 1/20 0.38
RAB9A P51151 3/20 0.38
NPC1 O15118 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
NFKB1 P19838 1/20 0.37
NFKB2 Q00653 1/20 0.37
RELA Q04206 1/20 0.37

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
SCHEMBL7059312 0.88 MAPT (0.46) KMT2AMEN1TSHRMAPTCTSL
SCHEMBL7059667 0.87 KCNJ1 (0.46) KMT2AMEN1TSHRMAPTCTSL
SCHEMBL7060048 0.82 POLB (0.43) KMT2AMEN1TSHRALDH1A1CYP2C19
SCHEMBL7061687 0.82 TSHR (0.45) KMT2AMEN1TSHRALDH1A1CYP1A2
SCHEMBL7640930 0.82 MAPT (0.56) KMT2AMEN1MAPTALDH1A1KDM4E
SCHEMBL7061320 0.81 ALDH1A1 (0.43) KMT2AMEN1MAPTALDH1A1LMNA
SCHEMBL7058681 0.81 CTSL (0.50) KMT2AMEN1MAPTCTSLALDH1A1
SCHEMBL7060323 0.81 CTSL (0.50) KMT2AMEN1MAPTCTSLALDH1A1
SCHEMBL8555676 0.79 TSHR (0.46) HTR2AKMT2AMEN1TSHRMAPT
SCHEMBL7055475 0.78 HTR2A (0.45) HTR2AKMT2AMEN1TSHRMAPT

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