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Sugi Predict / Compounds / SCHEMBL21641359

SCHEMBL21641359

SCHEMBL21641359

C[C@H]1C[C@@H]2[C@H]([C@@H](O)C[C@@]3(C)[C@H]2CC[C@]3(O)C(=O)COC2(CO)O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[C@@H]2O)[C@@]2(C)C=CC(=O)C=C12

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 7/20 0.60
▸ PGR P06401 6/20 0.60
▸ AR P10275 3/20 0.60
▸ F2 P00734 1/20 0.60
▸ HIF1A Q16665 6/20 0.59
▸ NR3C1 P04150 5/20 0.59
▸ HSD17B10 Q99714 5/20 0.59
▸ ABCB11 O95342 3/20 0.59
▸ ALDH1A1 P00352 2/20 0.59
▸ NR1I2 O75469 2/20 0.59
▸ ABCC4 O15439 1/20 0.59
▸ PDE4D Q08499 1/20 0.59
▸ CYP2C19 P33261 2/20 0.43
▸ TNF P01375 1/20 0.43
▸ IL6 P05231 1/20 0.43
▸ SERPINA6 P08185 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
SCHEMBL26181084 1.00 CYP3A4 (0.60) CYP3A4PGRARF2HIF1A
SCHEMBL21641358 1.00 CYP3A4 (0.60) CYP3A4PGRARF2HIF1A
SCHEMBL21641270 0.89 HIF1A (0.59) CYP3A4PGRARHIF1ANR3C1
SCHEMBL21641269 0.89 HIF1A (0.59) CYP3A4PGRARHIF1ANR3C1
SCHEMBL21641462 0.81 HIF1A (0.58) CYP3A4PGRARHIF1ANR3C1
SCHEMBL21641461 0.81 HIF1A (0.58) CYP3A4PGRARHIF1ANR3C1
SCHEMBL21641190 0.80 KMT2A (0.58) CYP3A4PGRARHIF1ANR3C1
SCHEMBL21641191 0.80 KMT2A (0.58) CYP3A4PGRARHIF1ANR3C1
SCHEMBL13524496 0.77 PGR (0.84) CYP3A4PGRARF2HIF1A
Methylprednisolone SCHEMBL21145528 0.76 HIF1A (1.00) CYP3A4PGRARF2HIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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