SCHEMBL13066077

SCHEMBL13066077

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

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLA1 P09884 1/20 0.44
LMNA P02545 1/20 0.43
THRB P10828 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HIF1A Q16665 1/20 0.43
P2RY2 P41231 7/20 0.42
P2RY4 P51582 3/20 0.42
CYP3A4 P08684 2/20 0.41
CYP2C9 P11712 2/20 0.41
TDP1 Q9NUW8 1/20 0.38
P2RY14 Q15391 1/20 0.38
SLC28A1 O00337 1/20 0.38
SLC28A2 O43868 1/20 0.38
SLC29A1 Q99808 1/20 0.38
SLC28A3 Q9HAS3 1/20 0.38
TSHR P16473 1/20 0.37
P2RY6 Q15077 4/20 0.37

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
SCHEMBL16438958 0.90 CYP3A4 (0.46) POLA1LMNATHRBSMN1; SMN2HIF1A
SCHEMBL19295878 0.90 CYP3A4 (0.46) POLA1LMNATHRBSMN1; SMN2HIF1A
SCHEMBL21418772 0.90 CYP3A4 (0.46) POLA1LMNATHRBSMN1; SMN2HIF1A
SCHEMBL19298159 0.90 CYP3A4 (0.46) POLA1LMNATHRBSMN1; SMN2HIF1A
SCHEMBL19283199 0.90 CYP3A4 (0.46) POLA1LMNATHRBSMN1; SMN2HIF1A
SCHEMBL16576283 0.90 CYP3A4 (0.46) POLA1LMNATHRBSMN1; SMN2HIF1A
SCHEMBL19534468 0.90 CYP3A4 (0.46) POLA1LMNATHRBSMN1; SMN2HIF1A
SCHEMBL21418788 0.90 CYP3A4 (0.46) POLA1LMNATHRBSMN1; SMN2HIF1A
SCHEMBL13051686 0.87 CYP3A4 (0.45) POLA1LMNATHRBSMN1; SMN2HIF1A
SCHEMBL19534548 0.87 P2RY2 (0.52) POLA1LMNATHRBSMN1; 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-2010135569-A1 N- [ (2 ' R) -2 ' -DEOXY-2 ' -FLUORO-2 ' -METHYL-P-PHENYL-5 ' -URIDYLYL] -L-ALANINE 1-METHYLETHYL ESTER AND PROCESS FOR ITS PRODUCTION PHARMASSET, INC. (US) 2010-11-25 WO disclosed