SCHEMBL8632724

SCHEMBL8632724

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

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 1/20 0.39
SLC1A1 P43005 1/20 0.34
CYP2D6 P10635 1/20 0.32
HDAC3 O15379 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC2 Q92769 1/20 0.31
HDAC8 Q9BY41 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
MEN1 O00255 1/20 0.31
GAA P10253 1/20 0.31
KMT2A Q03164 1/20 0.31
CA12 O43570 2/20 0.30
CA2 P00918 2/20 0.30
CA14 Q9ULX7 2/20 0.30
CA1 P00915 1/20 0.30
STING1 Q86WV6 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
SCHEMBL8633728 0.92 DGAT1 (0.36) DGAT1SLC1A1CYP2D6MEN1GAA
SCHEMBL8633676 0.88 EPHX2 (0.37) DGAT1HDAC1HDAC2HDAC8HDAC6
SCHEMBL8633153 0.84 CYP1A2 (0.33) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL8784761 0.83 CTSK (0.33) SLC1A1CYP2D6HDAC3HDAC1HDAC2
SCHEMBL8630685 0.83 DGAT1 (0.41) DGAT1CYP2D6HDAC3HDAC1HDAC2
Lithium SCHEMBL8633787 0.82 CTSK (0.33) SLC1A1HDAC3HDAC1HDAC2HDAC8
SCHEMBL18326687 0.79 CYP2D6 (0.37) SLC1A1CYP2D6HDAC3HDAC1HDAC2
SCHEMBL19756830 0.79 CYP2D6 (0.37) SLC1A1CYP2D6HDAC3HDAC1HDAC2
SCHEMBL17548574 0.79 CYP2D6 (0.37) SLC1A1CYP2D6HDAC3HDAC1HDAC2
SCHEMBL27394363 0.76 DGAT1 (0.38) DGAT1CYP2D6HDAC3HDAC1HDAC2

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