SCHEMBL8633782

SCHEMBL8633782

CC(C)(C)OC(=O)C(N)CCC(O)(C(=O)O)C(=O)O.[LiH]

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.38
NOS1 P29475 4/20 0.35
NOS2 P35228 4/20 0.35
NOS3 P29474 3/20 0.35
AAK1 Q2M2I8 1/20 0.33
MEN1 O00255 1/20 0.32
GAA P10253 1/20 0.32
KMT2A Q03164 1/20 0.32
SLC7A5 Q01650 1/20 0.31
CTSS P25774 1/20 0.30
CTSK P43235 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
SCHEMBL27389969 0.98 LTA4H (0.38) LTA4HNOS1NOS2NOS3AAK1
SCHEMBL8633725 0.88 LTA4H (0.37) LTA4HNOS1NOS2NOS3AAK1
SCHEMBL8637184 0.83 DGAT1 (0.40) LTA4HNOS1NOS2NOS3AAK1
SCHEMBL2611904 0.82 NOS1 (0.40) LTA4HNOS1NOS2NOS3AAK1
SCHEMBL8633149 0.82 CYP4F2 (0.36) LTA4HNOS1NOS2NOS3AAK1
SCHEMBL8633236 0.81 LTA4H (0.34) LTA4HNOS1NOS2NOS3AAK1
SCHEMBL3294154 0.80 NOS1 (0.42) LTA4HNOS1NOS2NOS3AAK1
SCHEMBL27303318 0.77 GSR (0.43) LTA4HMEN1GAAKMT2ASLC7A5
SCHEMBL7851826 0.77 GSR (0.43) LTA4HMEN1GAAKMT2ASLC7A5
SCHEMBL6740146 0.75 CYP1A2 (0.52) LTA4HNOS1NOS2NOS3MEN1

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