SCHEMBL7634040

SCHEMBL7634040

CCOC(=O)C(CCC(C)C)=NO

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
APOBEC3A P31941 1/20 0.51
APOBEC3G Q9HC16 1/20 0.51
CA1 P00915 2/20 0.38
MAPT P10636 2/20 0.34
ALDH1A1 P00352 4/20 0.33
NPSR1 Q6W5P4 1/20 0.33
GLO1 Q04760 1/20 0.33
KYAT1 Q16773 4/20 0.33
TSHR P16473 1/20 0.32
LMNA P02545 1/20 0.32
HSD17B10 Q99714 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
EGLN1 Q9GZT9 1/20 0.32
ALOX15 P16050 1/20 0.31
MGAM O43451 1/20 0.31
GAA P10253 1/20 0.31
SI P14410 1/20 0.31
MGAM2 Q2M2H8 1/20 0.31

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
SCHEMBL7634890 0.89 APOBEC3A (0.56) APOBEC3AAPOBEC3GCA1MAPTNPSR1
SCHEMBL7644872 0.88 APOBEC3A (0.55) APOBEC3AAPOBEC3GMAPTKYAT1
SCHEMBL7634101 0.86 APOBEC3A (0.54) APOBEC3AAPOBEC3GKYAT1GAA
SCHEMBL7634816 0.81 CA1 (0.40) APOBEC3AAPOBEC3GCA1ALDH1A1TSHR
SCHEMBL28637253 0.81 APOBEC3A (0.46) APOBEC3AAPOBEC3GMAPTALDH1A1NPSR1
SCHEMBL7645072 0.80 APOBEC3A (0.57) APOBEC3AAPOBEC3GMAPTALDH1A1NPSR1
SCHEMBL7636885 0.79 CA1 (0.39) APOBEC3AAPOBEC3GCA1TSHRLMNA
SCHEMBL7640728 0.77 APOBEC3A (0.45) APOBEC3AAPOBEC3GMAPTALDH1A1TSHR
SCHEMBL6156735 0.77 APOBEC3A (0.63) APOBEC3AAPOBEC3GCA1MAPTALDH1A1
SCHEMBL6156730 0.77 APOBEC3A (0.63) APOBEC3AAPOBEC3GCA1MAPTALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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