Triamcinolone Hexacetonide

Triamcinolone Hexacetonide

SCHEMBL6835644

CC(C)(C)CC(=O)OCC(=O)[C@@]12OC(C)(C)O[C@@H]1C[C@H]1[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]12C.CC(C)(C)CC(=O)OCC(=O)[C@@]12OC(C)(C)O[C@@H]1C[C@H]1[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]12C

nearest known ligand 0.75

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

NR3C1

The experimentally established mechanism targets of Triamcinolone Hexacetonide. 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 4/20 0.75
▸ HIF1A Q16665 6/20 0.75
▸ LMNA P02545 5/20 0.75
▸ CYP3A4 P08684 5/20 0.75
▸ PGR P06401 4/20 0.75
▸ NR1I2 O75469 2/20 0.75
▸ MAPT P10636 3/20 0.72
▸ NPSR1 Q6W5P4 2/20 0.72
▸ CNR1 P21554 1/20 0.72
▸ KCNH2 Q12809 1/20 0.72
▸ USP2 O75604 1/20 0.72
▸ ALDH1A1 P00352 1/20 0.62
▸ AR P10275 1/20 0.62
▸ MEN1 O00255 1/20 0.62
▸ KMT2A Q03164 1/20 0.62
▸ ADORA3 P0DMS8 1/20 0.57
▸ DRD2 P14416 1/20 0.57
▸ OPRD1 P41143 1/20 0.57
▸ IKBKB O14920 1/20 0.56
▸ JAK2 O60674 1/20 0.56

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
Triamcinolone Hexacetonide SCHEMBL7543 1.00 HIF1A (0.75) HIF1ALMNACYP3A4NR3C1PGR
Triamcinolone Hexacetonide SCHEMBL5485022 1.00 HIF1A (0.75) HIF1ALMNACYP3A4NR3C1PGR
Triamcinolone Hexacetonide SCHEMBL21091792 1.00 HIF1A (0.75) HIF1ALMNACYP3A4NR3C1PGR
SCHEMBL12087295 0.92 HIF1A (0.84) HIF1ALMNACYP3A4NR3C1PGR
SCHEMBL19762242 0.91 HIF1A (0.78) HIF1ALMNACYP3A4NR3C1PGR
SCHEMBL28971361 0.90 HIF1A (0.87) HIF1ALMNACYP3A4NR3C1PGR
SCHEMBL11422147 0.90 HIF1A (0.87) HIF1ALMNACYP3A4NR3C1PGR
SCHEMBL15975096 0.90 HIF1A (0.87) HIF1ALMNACYP3A4NR3C1PGR
SCHEMBL14884636 0.90 HIF1A (0.87) HIF1ALMNACYP3A4NR3C1PGR
SCHEMBL124165 0.90 HIF1A (0.87) HIF1ALMNACYP3A4NR3C1PGR

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
US-6753164-B2 FOR DIAGNOSIS, PROPHYLAXIS AND THERAPY OF CANCER, INFLAMMATION, NEUROLOGICAL DISORDERS AND IMMUNE DISEASES AND/OR DISORDERS HUMAN GENOME SCIENCES, INC. 2004-06-22 — — US disclosed
US-20020160491-A1 Human Serpin polynucleotides, polypeptides, and antibodies HUMAN GENOME SCIENCES, INC. 2002-10-31 — — US disclosed
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