SCHEMBL8633153

SCHEMBL8633153

CCOC(=O)C(O)(C(=O)OCC)C(N)CCC(=O)OC(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
HTT P42858 1/20 0.33
MMP8 P22894 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
KMT2A Q03164 3/20 0.32
MEN1 O00255 1/20 0.32
POLB P06746 1/20 0.31
CYP4F2 P78329 1/20 0.31
CYP4A11 Q02928 1/20 0.31
NOS1 P29475 2/20 0.30
NOS3 P29474 1/20 0.30
NOS2 P35228 1/20 0.30
CTSK P43235 1/20 0.30
TP53 P04637 1/20 0.30
HDAC3 O15379 1/20 0.30
HDAC1 Q13547 1/20 0.30
HDAC2 Q92769 1/20 0.30
HDAC8 Q9BY41 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
SCHEMBL8632463 0.89 CYP1A2 (0.35) CYP1A2HTTKMT2ACYP4F2CYP4A11
SCHEMBL8632724 0.84 DGAT1 (0.39) KMT2AMEN1HDAC3HDAC1HDAC2
SCHEMBL8784761 0.81 CTSK (0.33) KMT2AMEN1NOS1NOS3NOS2
Lithium SCHEMBL8633787 0.80 CTSK (0.33) KMT2AMEN1CTSKHDAC3HDAC1
SCHEMBL8633728 0.78 DGAT1 (0.36) KMT2AMEN1CTSK
SCHEMBL5326417 0.78 L3MBTL1 (0.39) CYP1A2CYP2C9CYP2C19HTTL3MBTL1
SCHEMBL7011445 0.78 L3MBTL1 (0.39) CYP1A2CYP2C9CYP2C19HTTL3MBTL1
SCHEMBL31229195 0.78 L3MBTL1 (0.39) CYP1A2CYP2C9CYP2C19HTTL3MBTL1
SCHEMBL8798456 0.77 CYP4F2 (0.32) CYP4F2CYP4A11
SCHEMBL17548574 0.77 CYP2D6 (0.37) CYP1A2KMT2AMEN1NOS1NOS3

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