SCHEMBL8633725

SCHEMBL8633725

COC(=O)C(O)(CCC(N)C(=O)OC(C)(C)C)C(=O)O

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.37
DGAT1 O75907 1/20 0.36
NOS1 P29475 3/20 0.32
NOS3 P29474 2/20 0.32
NOS2 P35228 2/20 0.32
MEN1 O00255 1/20 0.32
GAA P10253 1/20 0.32
KMT2A Q03164 1/20 0.32
AAK1 Q2M2I8 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
SCHEMBL8637184 0.94 DGAT1 (0.40) LTA4HDGAT1NOS1NOS3NOS2
SCHEMBL27389969 0.89 LTA4H (0.38) LTA4HNOS1NOS3NOS2MEN1
SCHEMBL8633782 0.88 LTA4H (0.38) LTA4HNOS1NOS3NOS2MEN1
SCHEMBL27394362 0.85 DGAT1 (0.38) LTA4HDGAT1NOS1NOS3NOS2
SCHEMBL8633149 0.80 CYP4F2 (0.36) LTA4HNOS1NOS3NOS2MEN1
SCHEMBL8630683 0.80 DGAT1 (0.41) LTA4HDGAT1NOS1NOS3NOS2
SCHEMBL2611904 0.77 NOS1 (0.40) LTA4HNOS1NOS3NOS2MEN1
SCHEMBL8633236 0.76 LTA4H (0.34) LTA4HNOS1NOS3NOS2MEN1
SCHEMBL3594439 0.76 LTA4H (0.41) LTA4HDGAT1NOS1NOS3NOS2
SCHEMBL8639283 0.76 LTA4H (0.41) LTA4HDGAT1NOS1NOS3NOS2

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