SCHEMBL8005989

SCHEMBL8005989

CC(C)(C)OC(=O)NCCOC(=O)CN

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA12 O43570 7/20 0.49
CA1 P00915 7/20 0.49
CA2 P00918 7/20 0.49
CA9 Q16790 7/20 0.49
TDP1 Q9NUW8 1/20 0.49
IDO1 P14902 2/20 0.48
MAOA P21397 1/20 0.46
MAOB P27338 1/20 0.46
MEN1 O00255 1/20 0.46
GAA P10253 1/20 0.46
KMT2A Q03164 1/20 0.46
EPHX1 P07099 1/20 0.41
MALT1 Q9UDY8 1/20 0.39
HTT P42858 1/20 0.38
PDK2 Q15119 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
SCHEMBL11888006 0.87 TDP1 (0.53) CA12CA1CA2CA9TDP1
SCHEMBL7479664 0.86 TDP1 (0.49) CA12CA1CA2CA9TDP1
SCHEMBL2152898 0.86 TDP1 (0.51) CA12CA1CA2CA9TDP1
SCHEMBL18354701 0.84 TDP1 (0.50) CA12CA1CA2CA9TDP1
SCHEMBL2519901 0.84 IDO1 (0.52) CA12CA1CA2CA9TDP1
SCHEMBL28133475 0.83 TDP1 (0.53) CA12CA1CA2CA9TDP1
SCHEMBL25736731 0.83 TDP1 (0.49) CA12CA1CA2CA9TDP1
SCHEMBL14064894 0.82 MAOA (0.53) CA12CA1CA2CA9TDP1
SCHEMBL30206955 0.82 TDP1 (0.55) CA12CA1CA2CA9TDP1
SCHEMBL18713190 0.81 TDP1 (0.47) CA12CA1CA2CA9TDP1

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3596064-B1 TOSYLACETATE BASED COMPOUNDS AND DERIVATIVES THEREOF AS PHGDH INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2021-03-03 EP disclosed
EP-0773950-A4 LINKED PEPTIDE NUCLEIC ACIDS ISIS PHARMACEUTICALS INC (US) 2000-05-17 EP disclosed
EP-0804456-A4 PEPTIDE NUCLEIC ACID CONJUGATES ISIS PHARMACEUTICALS INC (US) 1999-05-19 EP disclosed
EP-0804456-A1 PEPTIDE NUCLEIC ACID CONJUGATES ISIS PHARMACEUTICALS, INC. (US) 1997-11-05 EP disclosed
EP-0773950-A1 LINKED PEPTIDE NUCLEIC ACIDS ISIS PHARMACEUTICALS, INC. (US) 1997-05-21 EP disclosed
WO-1996011205-A9 PEPTIDE NUCLEIC ACID CONJUGATES 1996-05-30 WO disclosed
WO-1996011205-A1 PEPTIDE NUCLEIC ACID CONJUGATES ISIS PHARMACEUTICALS, INC. (US) 1996-04-18 WO disclosed
WO-1996002558-A1 LINKED PEPTIDE NUCLEIC ACIDS ISIS PHARMACEUTICALS, INC. (US) 1996-02-01 WO disclosed