SCHEMBL8633239

SCHEMBL8633239

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

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.38
HDAC3 O15379 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
ALDH1A1 P00352 1/20 0.31
TSHR P16473 1/20 0.31
MEN1 O00255 1/20 0.31
GAA P10253 1/20 0.31
KMT2A Q03164 1/20 0.31
SLC7A5 Q01650 1/20 0.31
MLYCD O95822 7/20 0.30
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
SCHEMBL27394363 0.89 DGAT1 (0.38) CYP2D6HDAC3HDAC1HDAC2HDAC8
SCHEMBL4240670 0.83 CYP2D6 (0.39) CYP2D6HDAC3HDAC1HDAC2HDAC8
SCHEMBL8784761 0.82 CTSK (0.33) CYP2D6HDAC3HDAC1HDAC2HDAC8
SCHEMBL8630685 0.82 DGAT1 (0.41) CYP2D6HDAC3HDAC1HDAC2HDAC8
SCHEMBL5969689 0.81 CYP2D6 (0.38) CYP2D6HDAC3HDAC1HDAC2HDAC8
Lithium SCHEMBL8633787 0.81 CTSK (0.33) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL544794 0.80 CYP2D6 (0.46) CYP2D6HDAC3HDAC1HDAC2HDAC8
SCHEMBL26109316 0.80 CYP2D6 (0.46) CYP2D6HDAC3HDAC1HDAC2HDAC8
SCHEMBL27410703 0.76 DGAT1 (0.39) CYP2D6HDAC3HDAC1HDAC2HDAC8
SCHEMBL31301962 0.76 CYP2D6 (0.44) CYP2D6HDAC3HDAC1HDAC2HDAC8

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