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Hydrocortisone Butyrate

Hydrocortisone Butyrate

SCHEMBL22042329

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

nearest known ligand 0.63

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

NR3C1

The experimentally established mechanism targets of Hydrocortisone Butyrate. 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 0.63
▸ NR3C2 P08235 6/20 0.63
▸ PGR P06401 5/20 0.63
▸ HIF1A Q16665 5/20 0.59
▸ KMT2A Q03164 3/20 0.59
▸ CYP3A4 P08684 6/20 0.57
▸ HSD17B10 Q99714 3/20 0.57
▸ NFKB1 P19838 3/20 0.57
▸ TSHR P16473 2/20 0.57
▸ AR P10275 2/20 0.57
▸ MEN1 O00255 2/20 0.57
▸ PMP22 Q01453 2/20 0.57
▸ CYP2D6 P10635 1/20 0.57
▸ APEX1 P27695 1/20 0.57
▸ NPSR1 Q6W5P4 1/20 0.57
▸ IKBKB O14920 1/20 0.57
▸ CHUK O15111 1/20 0.57
▸ ADRB2 P07550 1/20 0.57
▸ PLA2G2A P14555 1/20 0.57
▸ NFKB2 Q00653 1/20 0.57

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 SCHEMBL3670653 0.89 NR3C1 (0.70) NR3C2NR3C1PGRHIF1AKMT2A
Hydrocortisone Butyrate SCHEMBL8584180 0.86 NR3C2 (0.66) NR3C2NR3C1PGRHIF1AKMT2A
Dexamethasone SCHEMBL322760 0.85 HIF1A (0.69) NR3C2NR3C1PGRHIF1AKMT2A
Betamethasone SCHEMBL28086533 0.83 HIF1A (0.66) NR3C2NR3C1PGRHIF1AKMT2A
Clobetasone Butyrate SCHEMBL22042328 0.82 LMNA (0.69) NR3C2NR3C1PGRHIF1AKMT2A
Hydrocortisone Butyrate SCHEMBL3670655 0.81 KMT2A (0.59) NR3C2NR3C1PGRHIF1AKMT2A
Hydrocortisone Phosphoric Acid SCHEMBL8190634 0.81 HIF1A (0.66) NR3C2NR3C1PGRHIF1AKMT2A
Triamcinolone SCHEMBL593313 0.81 HIF1A (0.68) NR3C2NR3C1PGRHIF1AKMT2A
Betamethasone SCHEMBL120210 0.80 NR3C1 (0.84) NR3C2NR3C1PGRHIF1AKMT2A
SCHEMBL19726402 0.79 NR3C1 (0.67) NR3C2NR3C1PGRHIF1AKMT2A

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
WO-2020116570-A1 EXTERNAL PREPARATION FOR SKIN 一般財団法人リディアオリリー記念ピアス皮膚科学振興財団 2020-06-11 — — WO disclosed
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