SCHEMBL7635353

SCHEMBL7635353

O=C(Cc1cccc(Cl)c1)C(=O)OCc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 1/20 0.54
CTBP2 P56545 1/20 0.51
ALDH1A1 P00352 5/20 0.49
MAPK1 P28482 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
MMP1 P03956 1/20 0.47
MMP2 P08253 1/20 0.47
MMP9 P14780 1/20 0.47
MMP12 P39900 1/20 0.47
HPGD P15428 2/20 0.47
KMT2A Q03164 2/20 0.47
RXRA P19793 2/20 0.47
RXRB P28702 2/20 0.47
RXRG P48443 2/20 0.47
MEN1 O00255 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
SIGMAR1 Q99720 1/20 0.46
EPHX2 P34913 1/20 0.46
NR4A2 P43354 1/20 0.46
HTR3E A5X5Y0 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
SCHEMBL20023000 0.86 ENPP2 (0.52) HCAR2ALDH1A1MAPK1L3MBTL1KMT2A
SCHEMBL7060138 0.85 PLAAT3 (0.58) HCAR2ALDH1A1MMP1MMP2MMP9
SCHEMBL11686224 0.84 ALDH1A1 (0.69) HCAR2CTBP2ALDH1A1MAPK1L3MBTL1
SCHEMBL7639146 0.84 L3MBTL1 (0.54) ALDH1A1MAPK1L3MBTL1MMP1MMP2
SCHEMBL7634829 0.84 PLAAT3 (0.59) HCAR2ALDH1A1MAPK1HPGDKMT2A
SCHEMBL7641215 0.84 NPSR1 (0.49) ALDH1A1MAPK1L3MBTL1KMT2AMEN1
SCHEMBL7636977 0.84 ALDH1A1 (0.66) HCAR2ALDH1A1MAPK1L3MBTL1KMT2A
SCHEMBL5792784 0.83 MAPT (0.49) HCAR2CTBP2ALDH1A1MAPK1HPGD
SCHEMBL7634026 0.82 HCAR2 (0.54) HCAR2ALDH1A1MAPK1L3MBTL1MMP1
SCHEMBL7637934 0.82 CTBP2 (0.50) CTBP2ALDH1A1MAPK1L3MBTL1MMP2

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