SCHEMBL8630683

SCHEMBL8630683

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

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 1/20 0.41
LTA4H P09960 1/20 0.33
NOS1 P29475 2/20 0.33
NOS3 P29474 1/20 0.33
NOS2 P35228 1/20 0.33
CA12 O43570 1/20 0.31
CA14 Q9ULX7 1/20 0.31
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA7 P43166 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 0.92 DGAT1 (0.38) DGAT1LTA4HNOS1NOS3NOS2
SCHEMBL8637184 0.85 DGAT1 (0.40) DGAT1LTA4HNOS1NOS3NOS2
SCHEMBL8633236 0.82 LTA4H (0.34) LTA4HNOS1NOS3NOS2
SCHEMBL8633725 0.80 LTA4H (0.37) DGAT1LTA4HNOS1NOS3NOS2
SCHEMBL918878 0.77 NOS1 (0.37) DGAT1LTA4HNOS1NOS3NOS2
SCHEMBL918877 0.77 NOS1 (0.37) DGAT1LTA4HNOS1NOS3NOS2
SCHEMBL21535282 0.76 DGAT1 (0.46) DGAT1NOS1NOS3NOS2CA12
SCHEMBL30904855 0.75 NOS1 (0.34) LTA4HNOS1NOS3NOS2
SCHEMBL3594439 0.74 LTA4H (0.41) DGAT1LTA4HNOS1NOS3NOS2
SCHEMBL27596147 0.74 CA12 (0.38) DGAT1LTA4HNOS1NOS3NOS2

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 4 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
WO-1994010127-A1 TARTRONIC ACIDS, THEIR ACETALIC ETHERS AND O-ESTERS DOMPE' FARMACEUTICI S.P.A. (IT) 1994-05-11 WO disclosed