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Betamethasone

Betamethasone

SCHEMBL28161851

CC(=O)O.CCC(=O)O.CCC(=O)O.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(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(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CO

nearest known ligand 0.89

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

NR3C1

The experimentally established mechanism targets of Betamethasone. 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 8/20 0.89
▸ HIF1A Q16665 9/20 0.89
▸ CYP3A4 P08684 7/20 0.89
▸ HSD17B10 Q99714 4/20 0.89
▸ NFKB1 P19838 4/20 0.89
▸ PGR P06401 3/20 0.89
▸ TSHR P16473 2/20 0.89
▸ AR P10275 2/20 0.89
▸ PMP22 Q01453 2/20 0.89
▸ MEN1 O00255 1/20 0.89
▸ CYP2D6 P10635 1/20 0.89
▸ KMT2A Q03164 1/20 0.89
▸ APEX1 P27695 1/20 0.89
▸ NPSR1 Q6W5P4 1/20 0.89
▸ IKBKB O14920 1/20 0.89
▸ CHUK O15111 1/20 0.89
▸ ADRB2 P07550 1/20 0.89
▸ NR3C2 P08235 1/20 0.89
▸ PLA2G2A P14555 1/20 0.89
▸ NFKB2 Q00653 1/20 0.89

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
Betamethasone SCHEMBL8077644 1.00 HIF1A (0.89) HIF1ANR3C1CYP3A4HSD17B10NFKB1
Betamethasone SCHEMBL509818 0.98 HIF1A (0.92) HIF1ANR3C1CYP3A4HSD17B10NFKB1
Betamethasone SCHEMBL515750 0.98 HIF1A (0.92) HIF1ANR3C1CYP3A4HSD17B10NFKB1
Betamethasone SCHEMBL7521 0.98 HIF1A (0.92) HIF1ANR3C1CYP3A4HSD17B10NFKB1
Dexamethasone SCHEMBL43108 0.98 HIF1A (0.92) HIF1ANR3C1CYP3A4HSD17B10NFKB1
Dexamethasone SCHEMBL122397 0.98 HIF1A (0.92) HIF1ANR3C1CYP3A4HSD17B10NFKB1
Betamethasone SCHEMBL28843099 0.97 HIF1A (0.90) HIF1ANR3C1CYP3A4HSD17B10NFKB1
Betamethasone SCHEMBL4188771 0.97 HIF1A (0.90) HIF1ANR3C1CYP3A4HSD17B10NFKB1
Dexamethasone SCHEMBL28258701 0.97 HIF1A (0.92) HIF1ANR3C1CYP3A4HSD17B10NFKB1
Dexamethasone SCHEMBL7548 0.97 HIF1A (0.95) HIF1ANR3C1CYP3A4HSD17B10NFKB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107108660-A Boronic acid derivatives 默克专利股份公司 2017-08-29 — — CN disclosed
CN-107074885-A Boronic acid derivatives 默克专利股份公司 2017-08-18 — — CN disclosed
CN-107001391-A Boronic acid derivatives 默克专利股份公司 2017-08-01 — — CN disclosed
CN-107001390-A Boronic acid derivatives 默克专利股份公司 2017-08-01 — — CN disclosed