SCHEMBL30475853

SCHEMBL30475853

CC(=O)O[C@@H]1[C@H](OC(C)=O)[C@@H](COC(=O)CCC(=O)OC[C@H]2O[C@@H](n3ccc(=O)[nH]c3=O)[C@H](OC(C)=O)[C@@H]2OC(C)=O)O[C@H]1n1ccc(=O)[nH]c1=O

nearest known ligand 0.72

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.56
THRB P10828 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
HIF1A Q16665 1/20 0.56
SLC28A1 O00337 1/20 0.48
SLC28A2 O43868 1/20 0.48
SLC29A1 Q99808 1/20 0.48
SLC28A3 Q9HAS3 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
MEN1 O00255 1/20 0.47
USP2 O75604 1/20 0.47
POLB P06746 1/20 0.47
KMT2A Q03164 1/20 0.47
P2RY6 Q15077 6/20 0.46
P2RY2 P41231 10/20 0.46
P2RY12 Q9H244 1/20 0.46
P2RY4 P51582 4/20 0.45
P2RY14 Q15391 2/20 0.44

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
SCHEMBL30475852 1.00 LMNA (0.56) LMNATHRBSMN1; SMN2HIF1ASLC28A1
Uridine Triacetate SCHEMBL16455208 0.93 LMNA (0.64) LMNATHRBSMN1; SMN2HIF1ASLC28A1
Uridine Triacetate SCHEMBL14950624 0.93 LMNA (0.64) LMNATHRBSMN1; SMN2HIF1ASLC28A1
Uridine Triacetate SCHEMBL19308849 0.93 LMNA (0.64) LMNATHRBSMN1; SMN2HIF1ASLC28A1
Uridine Triacetate SCHEMBL871011 0.93 LMNA (0.64) LMNATHRBSMN1; SMN2HIF1ASLC28A1
Uridine Triacetate SCHEMBL15279673 0.93 LMNA (0.64) LMNATHRBSMN1; SMN2HIF1ASLC28A1
Uridine Triacetate SCHEMBL12928917 0.93 LMNA (0.64) LMNATHRBSMN1; SMN2HIF1ASLC28A1
Uridine Triacetate SCHEMBL12900042 0.93 LMNA (0.64) LMNATHRBSMN1; SMN2HIF1ASLC28A1
Uridine Triacetate SCHEMBL10350038 0.93 LMNA (0.64) LMNATHRBSMN1; SMN2HIF1ASLC28A1
Uridine Triacetate SCHEMBL19308912 0.93 LMNA (0.64) LMNATHRBSMN1; SMN2HIF1ASLC28A1

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
CN-116496334-A Antiviral inhibitor and application thereof in pharmacy 上海和誉生物医药科技有限公司 2023-07-28 CN disclosed