SCHEMBL8404075

SCHEMBL8404075

CC(=O)CNCC(=O)OCc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.58
L3MBTL1 Q9Y468 2/20 0.56
MAPK1 P28482 1/20 0.56
CA1 P00915 3/20 0.51
CA2 P00918 3/20 0.51
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
ABCC3 O15438 1/20 0.50
NR1I2 O75469 1/20 0.50
ABCB11 O95342 1/20 0.50
NR3C1 P04150 1/20 0.50
RARG P13631 1/20 0.50
CNR1 P21554 1/20 0.50
OPRK1 P41145 1/20 0.50
NR1H2 P55055 1/20 0.50
PPARA Q07869 1/20 0.50
NR1H3 Q13133 1/20 0.50

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
SCHEMBL7695939 0.91 ALDH1A1 (0.66) ALDH1A1L3MBTL1MAPK1CA1CA2
Hydrochloric Acid SCHEMBL8053510 0.90 ALDH1A1 (0.63) ALDH1A1L3MBTL1MAPK1CA1CA2
SCHEMBL31174375 0.88 ALDH1A1 (0.58) ALDH1A1L3MBTL1MAPK1CA1CA2
SCHEMBL6518216 0.87 PPID (0.59) ALDH1A1L3MBTL1MAPK1CA1CA2
SCHEMBL316883 0.86 CA1 (0.66) ALDH1A1L3MBTL1MAPK1CA1CA2
SCHEMBL21960006 0.85 LMNA (0.56) ALDH1A1L3MBTL1MAPK1CA1CA2
SCHEMBL2135402 0.85 ALDH1A1 (0.58) ALDH1A1L3MBTL1MAPK1CA1CA2
SCHEMBL23748823 0.83 ALDH1A1 (0.56) ALDH1A1L3MBTL1MAPK1CA1CA2
Hydrochloric Acid SCHEMBL2135394 0.83 ALDH1A1 (0.56) ALDH1A1L3MBTL1MAPK1CA1CA2
SCHEMBL26331487 0.83 ALDH1A1 (0.56) ALDH1A1L3MBTL1MAPK1CA1CA2

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0636117-A4 METHOD OF ADMINISTERING PYRUVATE AND METHODS OF SYNTHESIZING PYRUVATE PRECURSORS. ABBOTT LAB (US) 1995-07-26 EP claimed
EP-0636117-A1 USE OF PYRUVAMIDE AND SELECTED PYRUVYL-AMINO ACIDS ABBOTT LABORATORIES (US) 1995-02-01 EP claimed
WO-1993021147-A1 METHOD OF ADMINISTERING PYRUVATE AND METHODS OF SYNTHESIZING PYRUVATE PRECURSORS ABBOTT LABORATORIES (US) 1993-10-28 WO claimed
EP-0636117-B1 USE OF PYRUVAMIDE AND SELECTED PYRUVYL-AMINO ACIDS STANKO RONALD T (US) 1999-06-23 EP disclosed
US-5472980-A Reducing insulin resistance in mammals with amino acid derivatives ABBOTT LABORATORIES (US) 1995-12-05 US disclosed
EP-0636117-A4 METHOD OF ADMINISTERING PYRUVATE AND METHODS OF SYNTHESIZING PYRUVATE PRECURSORS. ABBOTT LAB (US) 1995-07-26 EP disclosed
EP-0636117-A1 USE OF PYRUVAMIDE AND SELECTED PYRUVYL-AMINO ACIDS ABBOTT LABORATORIES (US) 1995-02-01 EP disclosed
US-5312985-A Reaction of sodium pyruvate with thionyl chloride and oxalyl chloride to form pyruvyl chloride, then reaction with 1,1,1,3,3,3-hexamethyldisilazane and methanol to form pyruvamide ABBOTT LABORATORIES (US) 1994-05-17 US disclosed
US-5283260-A Oral ingesting a pyruvyl-amino acid compound before a glucose tolerance test ABBOTT LABORATORIES (US) 1994-02-01 US disclosed
WO-1993021147-A1 METHOD OF ADMINISTERING PYRUVATE AND METHODS OF SYNTHESIZING PYRUVATE PRECURSORS ABBOTT LABORATORIES (US) 1993-10-28 WO disclosed
US-5256697-A Covalently linked pyruvyl-amino compound ABBOTT LABORATORIES 1993-10-26 US disclosed