SCHEMBL7060138

SCHEMBL7060138

O=C(CCc1cccc(Cl)c1)C(=O)OCc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLAAT3 P53816 2/20 0.58
PLAAT5 Q96KN8 2/20 0.58
PLAAT2 Q9NWW9 2/20 0.58
PLAAT4 Q9UL19 2/20 0.58
HCAR2 Q8TDS4 1/20 0.51
FFAR1 O14842 1/20 0.49
FFAR4 Q5NUL3 1/20 0.49
THRA P10827 1/20 0.49
THRB P10828 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.48
ALDH1A1 P00352 4/20 0.48
KMT2A Q03164 2/20 0.48
MEN1 O00255 1/20 0.48
HPGD P15428 1/20 0.48
MMP1 P03956 1/20 0.45
MMP2 P08253 1/20 0.45
MMP9 P14780 1/20 0.45
MMP12 P39900 1/20 0.45
RXRA P19793 1/20 0.45
RXRB P28702 1/20 0.45

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
SCHEMBL7634829 0.93 PLAAT3 (0.59) PLAAT3PLAAT5PLAAT2PLAAT4HCAR2
SCHEMBL7635353 0.85 HCAR2 (0.54) PLAAT3PLAAT5PLAAT2PLAAT4HCAR2
SCHEMBL7061713 0.85 PLAAT3 (0.57) PLAAT3PLAAT5PLAAT2PLAAT4FFAR1
SCHEMBL7059114 0.85 CTBP2 (0.52) PLAAT3PLAAT5PLAAT2PLAAT4HCAR2
SCHEMBL7059112 0.85 CTBP2 (0.52) PLAAT3PLAAT5PLAAT2PLAAT4HCAR2
SCHEMBL7060700 0.85 TDP1 (0.56) PLAAT5PLAAT4HCAR2FFAR1FFAR4
SCHEMBL7059318 0.84 PLAAT3 (0.52) PLAAT3PLAAT5PLAAT2PLAAT4FFAR1
SCHEMBL20023017 0.82 FFAR1 (0.42) PLAAT3PLAAT5PLAAT2PLAAT4FFAR1
SCHEMBL20022992 0.81 RXRA (0.53) FFAR1KMT2AMEN1RXRARXRB
SCHEMBL7060197 0.81 PLAAT3 (0.58) PLAAT3PLAAT5PLAAT2PLAAT4FFAR1

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