SCHEMBL7058697

SCHEMBL7058697

CCOC(=O)C(CCc1ccccc1)C(=O)CC

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MMP8 P22894 1/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
TDP1 Q9NUW8 3/20 0.50
MAPT P10636 1/20 0.48
L3MBTL1 Q9Y468 4/20 0.45
TSHR P16473 2/20 0.45
MAPK1 P28482 2/20 0.45
ALDH1A1 P00352 1/20 0.44
TP53 P04637 1/20 0.44
PIN1 Q13526 1/20 0.44
NPY1R P25929 1/20 0.43
NPY2R P49146 1/20 0.43
MEN1 O00255 1/20 0.43
NPC1 O15118 1/20 0.43
KMT2A Q03164 1/20 0.43
LMNA P02545 1/20 0.43

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
SCHEMBL935980 0.90 TDP1 (0.59) MMP8SMN1; SMN2TDP1MAPTL3MBTL1
SCHEMBL7309709 0.89 MMP8 (0.56) MMP8SMN1; SMN2TDP1MAPTL3MBTL1
SCHEMBL4693074 0.88 SMN1; SMN2 (0.50) MMP8SMN1; SMN2TDP1MAPTL3MBTL1
SCHEMBL7061349 0.88 SMN1; SMN2 (0.49) MMP8SMN1; SMN2MAPTL3MBTL1TSHR
SCHEMBL7061417 0.87 SMN1; SMN2 (0.52) MMP8SMN1; SMN2TDP1MAPTL3MBTL1
SCHEMBL2427317 0.86 MMP8 (0.54) MMP8SMN1; SMN2TDP1MAPTL3MBTL1
SCHEMBL7060674 0.85 TDP1 (0.49) MMP8SMN1; SMN2TDP1MAPTL3MBTL1
SCHEMBL8903502 0.85 TSHR (0.49) MMP8SMN1; SMN2TSHRALDH1A1MEN1
SCHEMBL7761925 0.84 TDP1 (0.54) MMP8SMN1; SMN2TDP1MAPTL3MBTL1
SCHEMBL3067055 0.84 MMP8 (0.52) MMP8SMN1; SMN2TDP1MAPTL3MBTL1

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