SCHEMBL7060366

SCHEMBL7060366

COC(=O)C(C(C)=O)C(C)c1cccc2ccccc12

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
LMNA P02545 1/20 0.42
GAA P10253 1/20 0.42
MTNR1A P48039 1/20 0.41
MTNR1B P49286 1/20 0.41
ALDH1A1 P00352 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C19 P33261 1/20 0.40
SSTR4 P31391 1/20 0.40
PDE2A O00408 1/20 0.40

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
SCHEMBL7062421 0.87 LMNA (0.39) MEN1KMT2ALMNAGAAALDH1A1
SCHEMBL7060201 0.86 ALDH1A1 (0.46) KMT2AALDH1A1
SCHEMBL7062707 0.83 NCEH1 (0.46) MEN1KMT2ALMNAMTNR1AMTNR1B
SCHEMBL7060991 0.83 LMNA (0.43) MEN1KMT2ALMNAMTNR1AMTNR1B
SCHEMBL7059745 0.82 ALDH1A1 (0.49) LMNAGAAALDH1A1CYP2C19
SCHEMBL7060691 0.80 CYP3A4 (0.40) MEN1KMT2AALDH1A1CYP3A4CYP2C19
SCHEMBL7061426 0.80 LPAR1 (0.43) KMT2AMTNR1AMTNR1BALDH1A1CYP3A4
SCHEMBL16811757 0.80 CASP1 (0.49) MEN1KMT2ALMNAGAAALDH1A1
SCHEMBL10920938 0.80 CASP1 (0.49) MEN1KMT2ALMNAGAAALDH1A1
SCHEMBL7056408 0.79 NCEH1 (0.47) MEN1KMT2ALMNAALDH1A1CYP3A4

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