SCHEMBL8633236

SCHEMBL8633236

CC(C)(C)OC(=O)C(N)CC(O)(C(=O)O)C(=O)O

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.34
NOS1 P29475 2/20 0.34
NOS3 P29474 1/20 0.34
NOS2 P35228 1/20 0.34
SLC7A5 Q01650 1/20 0.33
ALDH1A1 P00352 1/20 0.31
TSHR P16473 1/20 0.31
MEN1 O00255 1/20 0.31
GAA P10253 1/20 0.31
KMT2A Q03164 1/20 0.31
CTSS P25774 1/20 0.30
CTSK P43235 1/20 0.30
AAK1 Q2M2I8 1/20 0.30

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
SCHEMBL27394362 0.89 DGAT1 (0.38) LTA4HNOS1NOS3NOS2SLC7A5
SCHEMBL4240667 0.83 LTA4H (0.35) LTA4HNOS1NOS3NOS2SLC7A5
SCHEMBL27389969 0.82 LTA4H (0.38) LTA4HNOS1NOS3NOS2SLC7A5
SCHEMBL8630683 0.82 DGAT1 (0.41) LTA4HNOS1NOS3NOS2
SCHEMBL8633782 0.81 LTA4H (0.38) LTA4HNOS1NOS3NOS2SLC7A5
SCHEMBL918878 0.80 NOS1 (0.37) LTA4HNOS1NOS3NOS2SLC7A5
SCHEMBL918877 0.80 NOS1 (0.37) LTA4HNOS1NOS3NOS2SLC7A5
SCHEMBL30904855 0.78 NOS1 (0.34) LTA4HNOS1NOS3NOS2SLC7A5
SCHEMBL8633725 0.76 LTA4H (0.37) LTA4HNOS1NOS3NOS2MEN1
SCHEMBL3294154 0.76 NOS1 (0.42) LTA4HNOS1NOS3NOS2SLC7A5

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 6 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
CN-1091741-A Tartronic acid and acetal ether thereof and O-ester DOMPE FARMACEUTICI SPA (IT) 1994-09-07 CN disclosed
WO-1994010127-A1 TARTRONIC ACIDS, THEIR ACETALIC ETHERS AND O-ESTERS DOMPE' FARMACEUTICI S.P.A. (IT) 1994-05-11 WO disclosed