SCHEMBL7057322

SCHEMBL7057322

CC(C)OC(=O)/C(CCc1ccc2ccccc2c1Cl)=N\O

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
NCEH1 Q6PIU2 1/20 0.36
KCNJ11 Q14654 1/20 0.34
ABCB1 P08183 4/20 0.33
ALDH1A1 P00352 2/20 0.33
POLB P06746 1/20 0.33
MMP3 P08254 1/20 0.33
KDM4E B2RXH2 1/20 0.32
GAA P10253 1/20 0.32
HTT P42858 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32

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
SCHEMBL7057324 1.00 LMNA (0.37) LMNASMN1; SMN2NCEH1KCNJ11ABCB1
SCHEMBL7056423 0.87 LMNA (0.41) LMNASMN1; SMN2NCEH1MMP3
SCHEMBL7056422 0.87 LMNA (0.41) LMNASMN1; SMN2NCEH1MMP3
SCHEMBL7059670 0.86 NCEH1 (0.39) LMNASMN1; SMN2NCEH1KCNJ11ALDH1A1
SCHEMBL7059673 0.86 NCEH1 (0.39) LMNASMN1; SMN2NCEH1KCNJ11ALDH1A1
SCHEMBL7057024 0.85 LMNA (0.40) LMNASMN1; SMN2NCEH1KCNJ11ALDH1A1
SCHEMBL7061785 0.85 CDYL (0.44) ABCB1ALDH1A1POLBKDM4E
SCHEMBL7061784 0.85 CDYL (0.44) ABCB1ALDH1A1POLBKDM4E
SCHEMBL7058553 0.85 KMT2A (0.41) LMNASMN1; SMN2NCEH1ALDH1A1KDM4E
SCHEMBL7058549 0.85 KMT2A (0.41) LMNASMN1; SMN2NCEH1ALDH1A1KDM4E

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