SCHEMBL7644765

SCHEMBL7644765

CCOC(=O)C(/C=N\O)CCCCc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.43
MAPT P10636 1/20 0.42
ALOX5 P09917 2/20 0.41
CTSK P43235 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
TRPA1 O75762 1/20 0.40
MMP8 P22894 1/20 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
SCHEMBL7642096 0.99 SMN1; SMN2 (0.42) SMN1; SMN2MAPTALOX5CTSKTDP1
SCHEMBL7638998 0.99 SMN1; SMN2 (0.42) SMN1; SMN2MAPTALOX5CTSKTDP1
SCHEMBL7642345 0.96 SMN1; SMN2 (0.44) SMN1; SMN2MAPTALOX5CTSKTDP1
SCHEMBL7058581 0.91 SMN1; SMN2 (0.49) SMN1; SMN2MAPTTDP1MMP8
SCHEMBL7634806 0.88 TRPA1 (0.41) MAPTTDP1TRPA1
SCHEMBL7640035 0.88 GAA (0.46) CTSKTRPA1
SCHEMBL7641952 0.87 TRPA1 (0.43) MAPTTRPA1
SCHEMBL7641723 0.87 FAAH (0.46) MAPTALOX5CTSKTRPA1
SCHEMBL7643132 0.87 TRPA1 (0.43) MAPTTRPA1
SCHEMBL7636848 0.87 FAAH (0.46) MAPTALOX5CTSKTRPA1

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