SCHEMBL8630685

SCHEMBL8630685

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

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 1/20 0.41
CYP2D6 P10635 1/20 0.40
HDAC3 O15379 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
CA2 P00918 2/20 0.32
CA12 O43570 1/20 0.32
CA14 Q9ULX7 1/20 0.32
MLYCD O95822 7/20 0.32
CA1 P00915 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
SCHEMBL27394363 0.92 DGAT1 (0.38) DGAT1CYP2D6HDAC3HDAC1HDAC2
SCHEMBL8632724 0.83 DGAT1 (0.39) DGAT1CYP2D6HDAC3HDAC1HDAC2
SCHEMBL8633239 0.82 CYP2D6 (0.38) CYP2D6HDAC3HDAC1HDAC2HDAC8
SCHEMBL27410703 0.80 DGAT1 (0.39) DGAT1CYP2D6HDAC3HDAC1HDAC2
SCHEMBL8633676 0.79 EPHX2 (0.37) DGAT1HDAC1HDAC2HDAC8HDAC6
SCHEMBL26109316 0.77 CYP2D6 (0.46) DGAT1CYP2D6HDAC3HDAC1HDAC2
SCHEMBL544794 0.77 CYP2D6 (0.46) DGAT1CYP2D6HDAC3HDAC1HDAC2
SCHEMBL8633728 0.76 DGAT1 (0.36) DGAT1CYP2D6
SCHEMBL2331892 0.73 CYP2D6 (0.44) DGAT1CYP2D6HDAC3HDAC1HDAC2
SCHEMBL31301962 0.73 CYP2D6 (0.44) 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 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