SCHEMBL7056331

SCHEMBL7056331

CCOC(=O)C(C(C)=O)C(C)c1ccc2ccccc2c1Cl

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.43
MEN1 O00255 2/20 0.43
LMNA P02545 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
ALDH1A1 P00352 4/20 0.39
HPGD P15428 1/20 0.39
CDC25B P30305 2/20 0.39
NCEH1 Q6PIU2 1/20 0.39
KDM4E B2RXH2 4/20 0.38
MAPK1 P28482 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MAPT P10636 2/20 0.37
GAA P10253 2/20 0.37
HTT P42858 1/20 0.37
TP53 P04637 1/20 0.37
CDC25A P30304 1/20 0.36
CDC25C P30307 1/20 0.36
GLA P06280 1/20 0.36
NPBWR1 P48145 1/20 0.36

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
SCHEMBL7060991 0.87 LMNA (0.43) KMT2AMEN1LMNASMN1; SMN2HPGD
SCHEMBL7056865 0.87 ALDH1A1 (0.44) LMNASMN1; SMN2ALDH1A1NCEH1MAPK1
SCHEMBL7059751 0.86 LMNA (0.39) KMT2AMEN1LMNASMN1; SMN2ALDH1A1
SCHEMBL7061779 0.85 PRNP (0.42) KMT2ASMN1; SMN2ALDH1A1HPGDCDC25B
SCHEMBL7060201 0.84 ALDH1A1 (0.46) KMT2ASMN1; SMN2ALDH1A1HPGDCDC25B
SCHEMBL7059226 0.81 TSHR (0.46) KMT2AMEN1LMNAALDH1A1HPGD
SCHEMBL7058715 0.76 TP53 (0.43) KMT2AMEN1LMNASMN1; SMN2ALDH1A1
SCHEMBL7060242 0.74 ALDH1A1 (0.45) KMT2AMEN1LMNASMN1; SMN2ALDH1A1
SCHEMBL7061755 0.74 SMN1; SMN2 (0.48) KMT2AMEN1SMN1; SMN2ALDH1A1KDM4E
SCHEMBL7061451 0.73 PIN1 (0.42) KMT2AMEN1LMNASMN1; SMN2ALDH1A1

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