Sugi Predict

Sugi Predict / Compounds / Betamethasone

Betamethasone

Betamethasone

SCHEMBL7070539

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

nearest known ligand 0.73

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 0.73
▸ HIF1A Q16665 8/20 0.73
▸ CYP3A4 P08684 7/20 0.73
▸ HSD17B10 Q99714 6/20 0.73
▸ PGR P06401 4/20 0.73
▸ AR P10275 3/20 0.73
▸ NFKB1 P19838 3/20 0.73
▸ TSHR P16473 2/20 0.73
▸ NR3C2 P08235 2/20 0.73
▸ PMP22 Q01453 2/20 0.73
▸ MEN1 O00255 1/20 0.73
▸ CYP2D6 P10635 1/20 0.73
▸ KMT2A Q03164 1/20 0.73
▸ APEX1 P27695 1/20 0.73
▸ NPSR1 Q6W5P4 1/20 0.73
▸ IKBKB O14920 1/20 0.73
▸ CHUK O15111 1/20 0.73
▸ ADRB2 P07550 1/20 0.73
▸ PLA2G2A P14555 1/20 0.73
▸ NFKB2 Q00653 1/20 0.73

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 SCHEMBL3309785 1.00 NR3C1 (0.73) NR3C1HIF1ACYP3A4HSD17B10PGR
Clobetasol SCHEMBL2857967 0.96 NR3C1 (0.67) NR3C1HIF1ACYP3A4HSD17B10PGR
Dexamethasone SCHEMBL20767432 0.95 CYP3A4 (0.66) NR3C1HIF1ACYP3A4HSD17B10PGR
Triamcinolone SCHEMBL5151654 0.94 HIF1A (0.72) NR3C1HIF1ACYP3A4HSD17B10PGR
Dexamethasone SCHEMBL4743981 0.94 HSD17B10 (0.65) NR3C1HIF1ACYP3A4HSD17B10PGR
Dexamethasone SCHEMBL3877338 0.92 CYP3A4 (0.69) NR3C1HIF1ACYP3A4HSD17B10PGR
Betamethasone SCHEMBL20576476 0.92 CYP3A4 (0.69) NR3C1HIF1ACYP3A4HSD17B10PGR
Prednisolone Phosphoric Acid SCHEMBL7998176 0.92 CYP3A4 (0.71) NR3C1HIF1ACYP3A4HSD17B10PGR
Flumethasone SCHEMBL7901450 0.92 CYP3A4 (0.68) NR3C1HIF1ACYP3A4HSD17B10PGR
Prednisolone Phosphoric Acid SCHEMBL1930858 0.91 CYP3A4 (0.69) NR3C1HIF1ACYP3A4HSD17B10PGR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1318816-A1 CORTICOSTEROID FORMULATION COMPRISING LESS THAN 2.5 MG PREDNISOLONE FOR ONCE DAILY ADMINISTRATION Arakis Ltd. (GB) 2003-06-18 — — EP disclosed
WO-2002024206-A1 CORTICOSTEROID FORMULATION COMPRISING LESS THAN 2.5 MG PREDNISOLONE FOR ONCE DAILY ADMINISTRATION ARAKIS LTD. (GB) 2002-03-28 — — WO disclosed
Send feedback