SCHEMBL8633728

SCHEMBL8633728

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

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 1/20 0.36
SLC1A1 P43005 1/20 0.35
CTSK P43235 6/20 0.33
CTSS P25774 5/20 0.33
MEN1 O00255 1/20 0.32
GAA P10253 1/20 0.32
KMT2A Q03164 1/20 0.32
CTSL P07711 1/20 0.30
CTSB P07858 1/20 0.30
MAPT P10636 1/20 0.30
CYP2D6 P10635 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
SCHEMBL8632724 0.92 DGAT1 (0.39) DGAT1SLC1A1MEN1GAAKMT2A
SCHEMBL8784761 0.89 CTSK (0.33) SLC1A1CTSKCTSSMEN1GAA
Lithium SCHEMBL8633787 0.88 CTSK (0.33) SLC1A1CTSKCTSSMEN1GAA
SCHEMBL27394363 0.85 DGAT1 (0.38) DGAT1CTSKCTSSMEN1GAA
SCHEMBL8633676 0.81 EPHX2 (0.37) DGAT1MEN1GAAKMT2A
SCHEMBL8633153 0.78 CYP1A2 (0.33) CTSKMEN1KMT2A
SCHEMBL8630685 0.76 DGAT1 (0.41) DGAT1CYP2D6
SCHEMBL19756830 0.76 CYP2D6 (0.37) SLC1A1CTSKMEN1GAAKMT2A
SCHEMBL18326687 0.76 CYP2D6 (0.37) SLC1A1CTSKMEN1GAAKMT2A
SCHEMBL17548574 0.76 CYP2D6 (0.37) SLC1A1CTSKMEN1GAAKMT2A

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