SCHEMBL7636848

SCHEMBL7636848

COC(=O)C(/C=N\O)CCCCCCc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.46
GAA P10253 1/20 0.45
TRPA1 O75762 1/20 0.43
MAPT P10636 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
ALOX5 P09917 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC2 Q92769 1/20 0.41
CTSK P43235 1/20 0.41
CES1 P23141 1/20 0.41

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
SCHEMBL7641723 1.00 FAAH (0.46) FAAHGAATRPA1MAPTRXFP1
SCHEMBL7640035 0.99 GAA (0.46) FAAHGAATRPA1CTSK
SCHEMBL7644261 0.95 GAA (0.47) GAACTSK
SCHEMBL7060200 0.89 GAA (0.49) GAAMAPT
SCHEMBL7642096 0.88 SMN1; SMN2 (0.42) FAAHTRPA1MAPTRXFP1ALOX5
SCHEMBL7638998 0.88 SMN1; SMN2 (0.42) FAAHTRPA1MAPTRXFP1ALOX5
SCHEMBL7640971 0.87 TSHR (0.41) FAAHTRPA1MAPTRXFP1
SCHEMBL7640333 0.87 TSHR (0.41) FAAHTRPA1MAPTRXFP1
SCHEMBL7641952 0.87 TRPA1 (0.43) TRPA1MAPTRXFP1
SCHEMBL7643132 0.87 TRPA1 (0.43) TRPA1MAPTRXFP1

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