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Sugi Predict / Compounds / Budesonide

Budesonide

Budesonide

SCHEMBL28234255

CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3C[C@H](C)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C.CCCC1O[C@@H]2C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@H]4[C@@H](O)C[C@]3(C)[C@]2(C(=O)CO)O1.C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CO.C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CO.C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CCl.C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CO

nearest known ligand 0.52

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

NR3C1

The experimentally established mechanism targets of Budesonide. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR3C1 known ✓ P04150 6/20 0.52
▸ CYP3A4 P08684 8/20 0.52
▸ HIF1A Q16665 6/20 0.52
▸ NFKB1 P19838 4/20 0.52
▸ ABCB11 O95342 3/20 0.52
▸ PGR P06401 3/20 0.52
▸ AR P10275 3/20 0.52
▸ HSD17B10 Q99714 3/20 0.52
▸ TSHR P16473 3/20 0.52
▸ NR3C2 P08235 2/20 0.52
▸ SMN1; SMN2 Q16637 2/20 0.52
▸ LMNA P02545 2/20 0.52
▸ BLM P54132 2/20 0.52
▸ PMP22 Q01453 2/20 0.52
▸ NPSR1 Q6W5P4 2/20 0.52
▸ ABCC3 O15438 1/20 0.52
▸ ABCC4 O15439 1/20 0.52
▸ IL5 P05113 1/20 0.52
▸ CHRM1 P11229 1/20 0.52
▸ MMP9 P14780 1/20 0.52

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
Budesonide SCHEMBL28233270 0.95 CYP3A4 (0.53) CYP3A4HIF1ANR3C1NFKB1ABCB11
Dexbudesonide SCHEMBL5504588 0.86 HIF1A (0.61) CYP3A4HIF1ANR3C1NFKB1ABCB11
Dexbudesonide SCHEMBL18695366 0.84 CYP3A4 (0.73) CYP3A4HIF1ANR3C1NFKB1ABCB11
Dexbudesonide SCHEMBL1302753 0.84 NR3C1 (0.73) CYP3A4HIF1ANR3C1NFKB1ABCB11
Dexbudesonide SCHEMBL4260550 0.84 CYP3A4 (0.73) CYP3A4HIF1ANR3C1NFKB1ABCB11
Dexbudesonide SCHEMBL8001479 0.80 CYP3A4 (0.67) CYP3A4HIF1ANR3C1NFKB1ABCB11
Dexbudesonide SCHEMBL8423471 0.79 NR3C1 (0.70) CYP3A4HIF1ANR3C1NFKB1ABCB11
Clobetasol SCHEMBL2857967 0.77 NR3C1 (0.67) CYP3A4HIF1ANR3C1NFKB1ABCB11
Triamcinolone Acetonide SCHEMBL9987506 0.76 CYP3A4 (0.75) CYP3A4HIF1ANR3C1NFKB1ABCB11
Dexamethasone SCHEMBL20767432 0.75 CYP3A4 (0.66) CYP3A4HIF1ANR3C1NFKB1ABCB11

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-108350013-A Premature stop codon inhibitor and its application method as therapeutic agent 不列颠哥伦比亚大学 2018-07-31 — — CN claimed
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