SCHEMBL28032879

SCHEMBL28032879

COC(=O)CC[C@H](O)CC(=O)OC

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.52
SLC1A1 P43005 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
LMNA P02545 3/20 0.39
CA12 O43570 2/20 0.39
CA14 Q9ULX7 2/20 0.39
KDM4E B2RXH2 1/20 0.39
HSD17B10 Q99714 2/20 0.38
ALDH1A1 P00352 2/20 0.38
MAPT P10636 1/20 0.38
HTT P42858 1/20 0.38
MGAM O43451 1/20 0.37
GAA P10253 1/20 0.37
SI P14410 1/20 0.37
MGAM2 Q2M2H8 1/20 0.37
PABPC1 P11940 1/20 0.36
APOBEC3A P31941 1/20 0.36
APOBEC3G Q9HC16 1/20 0.36

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
SCHEMBL20377437 1.00 TSHR (0.52) TSHRSLC1A1L3MBTL1KMT2AMEN1
SCHEMBL4744296 0.87 TSHR (0.48) TSHRSLC1A1
SCHEMBL667017 0.87 TSHR (0.48) TSHRSLC1A1
SCHEMBL5749928 0.87 TSHR (0.48) TSHRSLC1A1L3MBTL1KMT2AMEN1
SCHEMBL7925338 0.85 L3MBTL1 (0.58) TSHRL3MBTL1LMNAALDH1A1PABPC1
SCHEMBL6654471 0.85 L3MBTL1 (0.58) TSHRL3MBTL1LMNAALDH1A1PABPC1
SCHEMBL10386766 0.84 L3MBTL1 (0.61) TSHRL3MBTL1KMT2ALMNAALDH1A1
SCHEMBL5313852 0.83
SCHEMBL28243 0.83 TSHR (0.50) TSHRL3MBTL1KMT2AMEN1LMNA
SCHEMBL5750324 0.82 TSHR (0.52) TSHRSLC1A1L3MBTL1KMT2AMEN1

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
CN-105037363-A Novel synthetic method for entecavir compound SHANDONG LUOXIN PHARMACEUTICAL GROUP CO LTD 2015-11-11 CN claimed
CN-118063463-A Preparation method of entecavir 苏州科技大学 2024-05-24 CN disclosed
CN-109593090-A A kind of synthetic method of Entecavir 连云港贵科药业有限公司 2019-04-09 CN disclosed
CN-105037363-B A kind of entecavir compound prepared novel synthesis 山东罗欣药业集团股份有限公司 2016-08-24 CN disclosed
CN-105037363-A Novel synthetic method for entecavir compound SHANDONG LUOXIN PHARMACEUTICAL GROUP CO LTD 2015-11-11 CN disclosed
CN-105037363-A Novel synthetic method for entecavir compound SHANDONG LUOXIN PHARMACEUTICAL GROUP CO LTD 2015-11-11 CN disclosed