SCHEMBL7061786

SCHEMBL7061786

CC(C)OC(=O)C(=O)CCc1ccc(Cl)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLAAT3 P53816 4/20 0.53
PLAAT5 Q96KN8 4/20 0.53
PLAAT2 Q9NWW9 4/20 0.53
PLAAT4 Q9UL19 4/20 0.53
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
CYP4F2 P78329 1/20 0.44
CYP4A11 Q02928 1/20 0.44
GAA P10253 1/20 0.43
FFAR1 O14842 1/20 0.41
HDAC1 Q13547 2/20 0.41
HDAC6 Q9UBN7 2/20 0.41
HDAC3 O15379 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC10 Q969S8 1/20 0.41
HDAC11 Q96DB2 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC9 Q9UKV0 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
SCHEMBL7060219 0.84 PLAAT3 (0.46) PLAAT3PLAAT5PLAAT2PLAAT4KMT2A
SCHEMBL7058635 0.83 TSHR (0.54) PLAAT3PLAAT5PLAAT2PLAAT4KMT2A
SCHEMBL7641964 0.83 KMT2A (0.46) KMT2AMEN1
SCHEMBL7061434 0.83 ALDH1A1 (0.57) PLAAT3PLAAT5PLAAT2PLAAT4FFAR1
SCHEMBL7058669 0.82 PLAAT3 (0.51) PLAAT3PLAAT5PLAAT2PLAAT4KMT2A
SCHEMBL7060245 0.82 CTBP2 (0.45) PLAAT3PLAAT5PLAAT2PLAAT4KMT2A
SCHEMBL7060243 0.82 CTBP2 (0.45) PLAAT3PLAAT5PLAAT2PLAAT4KMT2A
SCHEMBL7060526 0.81 PLAAT3 (0.61) PLAAT3PLAAT5PLAAT2PLAAT4KMT2A
SCHEMBL7056327 0.80 TSHR (0.50) KMT2AMEN1
SCHEMBL11203984 0.79 HDAC3 (0.43) PLAAT3PLAAT5PLAAT2PLAAT4KMT2A

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