SCHEMBL8633773

SCHEMBL8633773

CC(C)(C)OC(=O)NCCCC(O)(C(=O)O)C(=O)O.[LiH]

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.57
GAA P10253 1/20 0.57
KMT2A Q03164 1/20 0.57
TDP1 Q9NUW8 1/20 0.56
MAOA P21397 1/20 0.49
MAOB P27338 1/20 0.49
CA1 P00915 8/20 0.47
CA2 P00918 8/20 0.47
CA12 O43570 6/20 0.47
CA9 Q16790 6/20 0.47
DRD2 P14416 4/20 0.41
EPHX1 P07099 1/20 0.40
HTT P42858 1/20 0.40
STK17B O94768 1/20 0.39
STK17A Q9UEE5 1/20 0.39
IDO1 P14902 1/20 0.38

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
SCHEMBL8634208 0.98 MEN1 (0.58) MEN1GAAKMT2ATDP1MAOA
SCHEMBL8633552 0.92 TDP1 (0.63) MEN1GAAKMT2ATDP1MAOA
SCHEMBL8633719 0.89 MEN1 (0.53) MEN1GAAKMT2ATDP1MAOA
SCHEMBL8633229 0.88 MEN1 (0.53) MEN1GAAKMT2ATDP1MAOA
SCHEMBL8630774 0.85 MEN1 (0.49) MEN1GAAKMT2ATDP1MAOA
SCHEMBL8630770 0.83 TDP1 (0.56) MEN1GAAKMT2ATDP1MAOA
SCHEMBL8634602 0.83 TDP1 (0.56) MEN1GAAKMT2ATDP1MAOA
SCHEMBL23854029 0.83 MEN1 (0.60) MEN1GAAKMT2ATDP1MAOA
SCHEMBL8270471 0.82 TDP1 (0.62) MEN1GAAKMT2ATDP1MAOA
Lithium Ion SCHEMBL8633776 0.82 TDP1 (0.54) MEN1GAAKMT2ATDP1MAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5773465-A Tartronic acids, their acetalic ethers and o-esters DOMPE FARMACEUTICI S.P.A. (IT) 1998-06-30 US disclosed
US-5656656-A Tartronic acids, their acetalic ethers and O-esters DOMPE FARMACEUTICI S.P.A. (IT) 1997-08-12 US disclosed
EP-0667850-B1 TARTRONIC ACIDS, THEIR ACETALIC ETHERS AND O-ESTERS DOMPE FARMACEUTICI SPA (IT) 1997-05-28 EP disclosed
EP-0667850-A1 TARTRONIC ACIDS, THEIR ACETALIC ETHERS AND O-ESTERS. DOMPE FARMACEUTICI SPA (IT) 1995-08-23 EP disclosed
WO-1994010127-A1 TARTRONIC ACIDS, THEIR ACETALIC ETHERS AND O-ESTERS DOMPE' FARMACEUTICI S.P.A. (IT) 1994-05-11 WO disclosed