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Betamethasone Valerate

Betamethasone Valerate

SCHEMBL7564753

CCCCC(=O)O[C@]1(C(=O)CO)[C@@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C.CCCCC(=O)O[C@]1(C(=O)CO)[C@@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

NR3C1

The experimentally established mechanism targets of Betamethasone Valerate. 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 13/20 1.00
▸ PGR P06401 4/20 1.00
▸ CYP3A4 P08684 4/20 1.00
▸ USP2 O75604 3/20 1.00
▸ MEN1 O00255 1/20 1.00
▸ KMT2A Q03164 1/20 1.00
▸ MMP1 P03956 10/20 0.81
▸ LMNA P02545 2/20 0.75
▸ NR1I2 O75469 2/20 0.75
▸ MAPT P10636 2/20 0.75
▸ MLNR O43193 1/20 0.75
▸ ABCB11 O95342 1/20 0.75
▸ CYP3A5 P20815 1/20 0.75
▸ PPARG P37231 1/20 0.75
▸ SMN1; SMN2 Q16637 1/20 0.75
▸ NPSR1 Q6W5P4 1/20 0.75
▸ CYP2D6 P10635 1/20 0.75
▸ CYP2C9 P11712 1/20 0.75
▸ ADORA3 P0DMS8 1/20 0.74
▸ DRD2 P14416 1/20 0.74

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 Valerate SCHEMBL29407278 1.00 NR3C1 (1.00) NR3C1PGRCYP3A4USP2MEN1
Betamethasone Valerate SCHEMBL9768484 1.00 NR3C1 (1.00) NR3C1PGRCYP3A4USP2MEN1
Betamethasone Valerate SCHEMBL9768470 1.00 NR3C1 (1.00) NR3C1PGRCYP3A4USP2MEN1
Betamethasone Valerate SCHEMBL221479 1.00 NR3C1 (1.00) NR3C1PGRCYP3A4USP2MEN1
Betamethasone Valerate SCHEMBL16243364 1.00 NR3C1 (1.00) NR3C1PGRCYP3A4USP2MEN1
Betamethasone Valerate SCHEMBL11051241 1.00 NR3C1 (1.00) NR3C1PGRCYP3A4USP2MEN1
Betamethasone Valerate SCHEMBL14339607 1.00 NR3C1 (1.00) NR3C1PGRCYP3A4USP2MEN1
Betamethasone Valerate SCHEMBL14339612 1.00 NR3C1 (1.00) NR3C1PGRCYP3A4USP2MEN1
Dexamethasone Valarate SCHEMBL124723 1.00 NR3C1 (1.00) NR3C1PGRCYP3A4USP2MEN1
Betamethasone Valerate SCHEMBL9768466 1.00 NR3C1 (1.00) NR3C1PGRCYP3A4USP2MEN1

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
US-20020006640-A1 Uteroglobin-like polynucleotides, polypeptides, and antibodies HUMAN GENOME SCIENCES, INC. 2002-01-17 — — US disclosed