SCHEMBL8630065

SCHEMBL8630065

CCOC(=O)C(O)(CCCNC(=O)OC(C)(C)C)C(=O)OCC

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.51
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
GAA P10253 1/20 0.49
CA12 O43570 4/20 0.47
CA1 P00915 4/20 0.47
CA2 P00918 4/20 0.47
CA9 Q16790 4/20 0.47
MAOA P21397 1/20 0.46
MAOB P27338 1/20 0.46
PTPRB P23467 1/20 0.42
THRB P10828 1/20 0.41
PKM P14618 1/20 0.41
HTT P42858 2/20 0.40
DRD2 P14416 4/20 0.39
ALDH1A1 P00352 1/20 0.39
TSHR P16473 1/20 0.39
ACHE P22303 2/20 0.38
EPHX1 P07099 1/20 0.38

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
SCHEMBL8632459 0.94 TDP1 (0.56) TDP1MEN1KMT2AGAACA12
SCHEMBL8630774 0.93 MEN1 (0.49) TDP1MEN1KMT2AGAACA12
SCHEMBL8630900 0.88 TDP1 (0.52) TDP1MEN1KMT2AGAACA12
SCHEMBL8630770 0.86 TDP1 (0.56) TDP1MEN1KMT2AGAACA12
SCHEMBL8631782 0.84 MEN1 (0.44) TDP1MEN1KMT2AGAACA12
SCHEMBL8634208 0.81 MEN1 (0.58) TDP1MEN1KMT2AGAACA12
SCHEMBL8630894 0.80 TDP1 (0.61) TDP1MEN1KMT2AGAACA12
SCHEMBL8633773 0.80 MEN1 (0.57) TDP1MEN1KMT2AGAACA12
SCHEMBL8633719 0.79 MEN1 (0.53) TDP1MEN1KMT2AGAACA12
SCHEMBL8270471 0.79 TDP1 (0.62) TDP1MEN1KMT2AGAACA12

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 6 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 claimed
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