SCHEMBL17198380

SCHEMBL17198380

CC(=O)OC[C@@H]1CO[C@@H](n2ccc(=O)[nH]c2=O)[C@@H]1OC(C)=O

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.45
LMNA P02545 1/20 0.44
THRB P10828 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HIF1A Q16665 1/20 0.44
SLC28A1 O00337 1/20 0.41
SLC28A2 O43868 1/20 0.41
SLC29A1 Q99808 1/20 0.41
SLC28A3 Q9HAS3 1/20 0.41
P2RY6 Q15077 7/20 0.40
P2RY2 P41231 9/20 0.39
P2RY4 P51582 5/20 0.39
P2RY14 Q15391 2/20 0.39

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
SCHEMBL17198593 0.86 SLC28A1 (0.41) TDP1SLC28A1SLC28A2SLC29A1SLC28A3
SCHEMBL8771949 0.82 POLB (0.50) TDP1LMNASLC28A1SLC28A2SLC29A1
SCHEMBL6552632 0.82 POLB (0.50) TDP1LMNASLC28A1SLC28A2SLC29A1
SCHEMBL17198475 0.81 LMNA (0.42) LMNATHRBSMN1; SMN2HIF1AP2RY2
Uridine Triacetate SCHEMBL14950624 0.81 LMNA (0.64) TDP1LMNATHRBSMN1; SMN2HIF1A
Uridine Triacetate SCHEMBL12900042 0.81 LMNA (0.64) TDP1LMNATHRBSMN1; SMN2HIF1A
Uridine Triacetate SCHEMBL15279673 0.81 LMNA (0.64) TDP1LMNATHRBSMN1; SMN2HIF1A
Uridine Triacetate SCHEMBL10350038 0.81 LMNA (0.64) TDP1LMNATHRBSMN1; SMN2HIF1A
Uridine Triacetate SCHEMBL19308849 0.81 LMNA (0.64) TDP1LMNATHRBSMN1; SMN2HIF1A
Uridine Triacetate SCHEMBL12928917 0.81 LMNA (0.64) TDP1LMNATHRBSMN1; SMN2HIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2015161137-A1 3'-SUBSTITUTED METHYL OR ALKYNYL NUCLEOSIDES FOR THE TREATMENT OF HCV IDENIX PHARMACEUTICALS, INC. (US) 2015-10-22 WO disclosed