SCHEMBL7640340

SCHEMBL7640340

CCOC(=O)C(CCCCCCc1ccccc1)C(C)=O

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.54
L3MBTL1 Q9Y468 2/20 0.49
MAPK1 P28482 1/20 0.49
MMP8 P22894 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.46
TRPA1 O75762 1/20 0.46
MAPT P10636 2/20 0.45
RXFP1 Q9HBX9 1/20 0.45
ALOX5 P09917 1/20 0.44

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
SCHEMBL7644517 1.00 TDP1 (0.54) TDP1L3MBTL1MAPK1MMP8SMN1; SMN2
SCHEMBL7638356 0.99 TDP1 (0.55) TDP1L3MBTL1MAPK1MMP8SMN1; SMN2
SCHEMBL2422561 0.94 TDP1 (0.56) TDP1L3MBTL1MAPK1MMP8SMN1; SMN2
SCHEMBL11207050 0.93 TDP1 (0.61) TDP1L3MBTL1MAPK1MMP8SMN1; SMN2
SCHEMBL11214126 0.93 TDP1 (0.61) TDP1L3MBTL1MAPK1MMP8SMN1; SMN2
SCHEMBL11206749 0.93 TDP1 (0.61) TDP1L3MBTL1MAPK1MMP8SMN1; SMN2
SCHEMBL8166768 0.93 TDP1 (0.61) TDP1L3MBTL1MAPK1MMP8SMN1; SMN2
SCHEMBL11202434 0.91 TDP1 (0.56) TDP1L3MBTL1MAPK1MMP8SMN1; SMN2
SCHEMBL11201035 0.91 TDP1 (0.56) TDP1L3MBTL1MAPK1MMP8SMN1; SMN2
SCHEMBL10874645 0.91 TDP1 (0.56) TDP1L3MBTL1MAPK1MMP8SMN1; SMN2

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