SCHEMBL7061966

SCHEMBL7061966

CCOC(=O)C(CCc1cccc(Cl)c1)C(C)=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
TSHR P16473 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
MAPT P10636 1/20 0.44
ALOX5 P09917 2/20 0.44
KDM4E B2RXH2 1/20 0.44
KMT2A Q03164 4/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
PDE3B Q13370 1/20 0.43
PDE3A Q14432 1/20 0.43
MAOB P27338 3/20 0.43
MEN1 O00255 2/20 0.42
LMNA P02545 2/20 0.42
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42
MAOA P21397 2/20 0.42
IDO1 P14902 1/20 0.42
TDO2 P48775 1/20 0.42
NPC1 O15118 1/20 0.42

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
SCHEMBL18473844 0.93 MAPK1 (0.52) MAPK1L3MBTL1TSHRTDP1MAPT
SCHEMBL7635571 0.92 MAPK1 (0.48) MAPK1L3MBTL1TSHRTDP1MAPT
SCHEMBL7056922 0.88 TAAR1 (0.45) MAPTKMT2ASMN1; SMN2MAOBMEN1
SCHEMBL7060848 0.87 HCAR2 (0.47) KMT2ASMN1; SMN2MAOBMEN1LMNA
SCHEMBL2422785 0.86 MMP8 (0.49) MAPK1L3MBTL1TSHRTDP1MAPT
SCHEMBL7061734 0.85 HPGD (0.44) MAPK1TSHRMAPTKMT2ASMN1; SMN2
SCHEMBL11210243 0.85 MAPK1 (0.54) MAPK1L3MBTL1TSHRTDP1MAPT
SCHEMBL7057182 0.83 EPHX2 (0.44) TSHRMAPTALOX5KDM4ESMN1; SMN2
SCHEMBL2427317 0.83 MMP8 (0.54) MAPK1L3MBTL1TSHRTDP1MAPT
SCHEMBL11202312 0.83 MAPK1 (0.49) MAPK1L3MBTL1TSHRTDP1MAPT

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