SCHEMBL7634829

SCHEMBL7634829

O=C(CCCc1cccc(Cl)c1)C(=O)OCc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLAAT3 P53816 3/20 0.59
PLAAT5 Q96KN8 3/20 0.59
PLAAT2 Q9NWW9 3/20 0.59
PLAAT4 Q9UL19 3/20 0.59
SMN1; SMN2 Q16637 3/20 0.50
HCAR2 Q8TDS4 1/20 0.50
ALDH1A1 P00352 3/20 0.47
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
HPGD P15428 1/20 0.47
HDAC3 O15379 1/20 0.46
MAPK1 P28482 1/20 0.46
ADRA1A P35348 1/20 0.46
HDAC4 P56524 1/20 0.46
SLC6A3 Q01959 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC7 Q8WUI4 1/20 0.46
HDAC2 Q92769 1/20 0.46
HDAC10 Q969S8 1/20 0.46
HDAC11 Q96DB2 1/20 0.46

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
SCHEMBL7060138 0.93 PLAAT3 (0.58) PLAAT3PLAAT5PLAAT2PLAAT4SMN1; SMN2
SCHEMBL7636870 0.87 PLAAT3 (0.51) PLAAT3PLAAT5PLAAT2PLAAT4SMN1; SMN2
SCHEMBL7636861 0.87 PLAAT3 (0.51) PLAAT3PLAAT5PLAAT2PLAAT4SMN1; SMN2
SCHEMBL7637978 0.87 HDAC1 (0.61) PLAAT3PLAAT5PLAAT2PLAAT4SMN1; SMN2
SCHEMBL7643117 0.84 PLAAT3 (0.53) PLAAT3PLAAT5PLAAT2PLAAT4SMN1; SMN2
SCHEMBL7635353 0.84 HCAR2 (0.54) PLAAT3PLAAT5PLAAT2PLAAT4SMN1; SMN2
SCHEMBL7634942 0.82 MAPT (0.61) PLAAT3PLAAT5PLAAT2PLAAT4SMN1; SMN2
SCHEMBL5024832 0.82 SMN1; SMN2 (0.68) PLAAT3PLAAT5PLAAT2PLAAT4SMN1; SMN2
SCHEMBL7634196 0.81 PLAAT3 (0.59) PLAAT3PLAAT5PLAAT2PLAAT4SMN1; SMN2
SCHEMBL7059114 0.81 CTBP2 (0.52) PLAAT3PLAAT5PLAAT2PLAAT4SMN1; SMN2

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