SCHEMBL21641191

SCHEMBL21641191

C[C@]12C=CC(=O)C=C1CC[C@@H]1[C@@H]2C(=O)C[C@@]2(C)[C@H]1CC[C@]2(O)C(=O)COC1(CO)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@@H]1O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.58
HSD17B10 Q99714 8/20 0.57
HIF1A Q16665 4/20 0.57
NR3C1 P04150 4/20 0.57
PGR P06401 3/20 0.57
ALDH1A1 P00352 3/20 0.57
LMNA P02545 3/20 0.57
MEN1 O00255 2/20 0.57
SLC29A1 Q99808 1/20 0.57
TDP1 Q9NUW8 1/20 0.57
SERPINA6 P08185 3/20 0.43
AR P10275 2/20 0.43
CYP3A4 P08684 2/20 0.43
ABCB11 O95342 1/20 0.43
TNF P01375 1/20 0.43
IL6 P05231 1/20 0.43
NR3C2 P08235 1/20 0.43
GLUL P15104 1/20 0.43
ADAM17 P78536 1/20 0.43
GPBAR1 Q8TDU6 1/20 0.43

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
SCHEMBL21641190 1.00 KMT2A (0.58) KMT2AHSD17B10HIF1ANR3C1PGR
SCHEMBL21641270 0.89 HIF1A (0.59) KMT2AHSD17B10HIF1ANR3C1PGR
SCHEMBL21641269 0.89 HIF1A (0.59) KMT2AHSD17B10HIF1ANR3C1PGR
SCHEMBL21641358 0.80 CYP3A4 (0.60) KMT2AHSD17B10HIF1ANR3C1PGR
SCHEMBL21641359 0.80 CYP3A4 (0.60) KMT2AHSD17B10HIF1ANR3C1PGR
SCHEMBL26181084 0.80 CYP3A4 (0.60) KMT2AHSD17B10HIF1ANR3C1PGR
SCHEMBL13996794 0.80 KMT2A (0.63) KMT2AHSD17B10HIF1ANR3C1PGR
SCHEMBL21641462 0.79 HIF1A (0.58) KMT2AHSD17B10HIF1ANR3C1PGR
SCHEMBL21641461 0.79 HIF1A (0.58) KMT2AHSD17B10HIF1ANR3C1PGR
SCHEMBL26745210 0.77 HSD17B10 (0.58) KMT2AHSD17B10HIF1ANR3C1PGR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3604322-B1 LACTULOSE GLYCOSIDE COMPOUND AND PREPARATION METHOD AND USE THEREOF FRUITHY HOLDINGS LTD (CN) 2023-10-18 EP claimed
EP-3604322-A1 LACTULOSE GLYCOSIDE COMPOUND AND PREPARATION METHOD AND USE THEREOF FRUITHY HOLDINGS LIMITED (CN) 2020-02-05 EP claimed
CN-110650966-A Lactulose glycoside compound, preparation method and application thereof 合肥合源药业有限公司 2020-01-03 CN claimed
EP-3604322-B1 LACTULOSE GLYCOSIDE COMPOUND AND PREPARATION METHOD AND USE THEREOF FRUITHY HOLDINGS LTD (CN) 2023-10-18 EP disclosed
CN-110650966-B Lactulose glycoside compound, preparation method and application thereof 合肥合源药业有限公司 2022-06-21 CN disclosed
EP-3604322-A1 LACTULOSE GLYCOSIDE COMPOUND AND PREPARATION METHOD AND USE THEREOF FRUITHY HOLDINGS LIMITED (CN) 2020-02-05 EP disclosed
CN-110650966-A Lactulose glycoside compound, preparation method and application thereof 合肥合源药业有限公司 2020-01-03 CN disclosed