Betamethasone

Betamethasone

SCHEMBL21808820

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@]12CCC(=O)C=C1CC[C@H]1[C@@H]3CC[C@](O)(C(=O)CO)[C@@]3(C)C[C@H](O)[C@@]12F

nearest known ligand 0.76

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 9/20 0.76
▸ CYP3A4 P08684 7/20 0.76
▸ HIF1A Q16665 7/20 0.76
▸ HSD17B10 Q99714 4/20 0.76
▸ NFKB1 P19838 3/20 0.76
▸ PGR P06401 3/20 0.76
▸ TSHR P16473 2/20 0.76
▸ AR P10275 2/20 0.76
▸ PMP22 Q01453 2/20 0.76
▸ MEN1 O00255 1/20 0.76
▸ CYP2D6 P10635 1/20 0.76
▸ KMT2A Q03164 1/20 0.76
▸ APEX1 P27695 1/20 0.76
▸ NPSR1 Q6W5P4 1/20 0.76
▸ IKBKB O14920 1/20 0.76
▸ CHUK O15111 1/20 0.76
▸ ADRB2 P07550 1/20 0.76
▸ NR3C2 P08235 1/20 0.76
▸ PLA2G2A P14555 1/20 0.76
▸ NFKB2 Q00653 1/20 0.76

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
Dexamethasone SCHEMBL4085868 1.00 NR3C1 (0.76) NR3C1CYP3A4HIF1AHSD17B10NFKB1
Triamcinolone SCHEMBL5146078 0.94 NR3C1 (0.75) NR3C1CYP3A4HIF1AHSD17B10NFKB1
Beclomethasone SCHEMBL16823398 0.94 HIF1A (0.71) NR3C1CYP3A4HIF1AHSD17B10NFKB1
Dexamethasone SCHEMBL143971 0.94 NR3C1 (0.77) NR3C1CYP3A4HIF1AHSD17B10NFKB1
Fludrocortisone Acetate SCHEMBL22472347 0.88 HIF1A (0.74) NR3C1CYP3A4HIF1AHSD17B10NFKB1
Clobetasol SCHEMBL16099014 0.87 NR3C1 (0.69) NR3C1CYP3A4HIF1AHSD17B10NFKB1
SCHEMBL3405133 0.87 NR3C1 (0.72) NR3C1CYP3A4HIF1AHSD17B10NFKB1
SCHEMBL11317374 0.87 NR3C1 (0.72) NR3C1CYP3A4HIF1AHSD17B10NFKB1
SCHEMBL11312637 0.87 NR3C1 (0.72) NR3C1CYP3A4HIF1AHSD17B10NFKB1
SCHEMBL11324493 0.87 NR3C1 (0.72) NR3C1CYP3A4HIF1AHSD17B10NFKB1

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
EP-3852719-A1 PHARMACEUTICAL COMPOSITION FOR TOPICAL USE COMPRISING AT LEAST ONE LOCAL ANAESTHETIC SUBSTANCE Société d'Exploitation de Produits pour les Industries Chimiques SEPPIC (FR) 2021-07-28 — — EP disclosed
EP-3852726-A1 PHARMACEUTICAL COMPOSITION FOR TOPICAL USE COMPRISING AT LEAST ONE ANTI-INFLAMMATORY SUBSTANCE Société d'Exploitation de Produits pour les Industries Chimiques SEPPIC (FR) 2021-07-28 — — EP disclosed
WO-2020058605-A1 PHARMACEUTICAL COMPOSITION FOR TOPICAL USE COMPRISING AT LEAST ONE LOCAL ANAESTHETIC SUBSTANCE SOCIETE D'EXPLOITATION DE PRODUITS POUR LES INDUSTRIES CHIMIQUES SEPPIC (FR) 2020-03-26 — — WO disclosed
WO-2020058603-A1 PHARMACEUTICAL COMPOSITION FOR TOPICAL USE COMPRISING AT LEAST ONE ANTI-INFLAMMATORY SUBSTANCE SOCIETE D'EXPLOITATION DE PRODUITS POUR LES INDUSTRIES CHIMIQUES SEPPIC (FR) 2020-03-26 — — WO disclosed
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