Halcinonide

Halcinonide

SCHEMBL9810174

CC1(C)O[C@@H]2C[C@H]3[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@]2(C(=O)CCl)O1.C[C@H]1C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CO

nearest known ligand 0.68

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

NR3C1

The experimentally established mechanism targets of Halcinonide. 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 0.68
▸ CYP3A4 P08684 9/20 0.68
▸ PGR P06401 7/20 0.68
▸ AR P10275 6/20 0.68
▸ USP2 O75604 1/20 0.68
▸ HIF1A Q16665 8/20 0.65
▸ LMNA P02545 5/20 0.65
▸ HSD17B10 Q99714 3/20 0.65
▸ MAPT P10636 2/20 0.65
▸ TDP1 Q9NUW8 1/20 0.65
▸ KDM4E B2RXH2 1/20 0.65
▸ MAPK1 P28482 1/20 0.65
▸ ALDH1A1 P00352 2/20 0.61
▸ ABCB11 O95342 1/20 0.61
▸ RAB9A P51151 1/20 0.61
▸ SMN1; SMN2 Q16637 1/20 0.61
▸ NR1I2 O75469 1/20 0.60
▸ MEN1 O00255 2/20 0.57
▸ KMT2A Q03164 2/20 0.57
▸ TSHR P16473 2/20 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
Halcinonide SCHEMBL2637394 0.93 CYP3A4 (0.73) CYP3A4PGRARNR3C1USP2
Halcinonide SCHEMBL28142872 0.90 CYP3A4 (0.76) CYP3A4PGRARNR3C1USP2
Fluocinolone Acetonide SCHEMBL5501859 0.89 HIF1A (0.77) CYP3A4PGRARNR3C1HIF1A
Fluocinonide SCHEMBL22463815 0.88 NR3C1 (0.75) CYP3A4PGRARNR3C1USP2
Halobetasol Propionate SCHEMBL28198190 0.88 PGR (0.67) CYP3A4PGRARNR3C1USP2
Fluocinolone Acetonide SCHEMBL8451856 0.85 NR3C1 (0.60) CYP3A4PGRARNR3C1USP2
Fluocinonide SCHEMBL28122375 0.84 HIF1A (0.75) CYP3A4PGRARNR3C1USP2
Fluocinonide SCHEMBL3475945 0.84 HIF1A (0.75) CYP3A4PGRARNR3C1USP2
Triamcinolone Acetonide SCHEMBL28103100 0.83 CYP3A4 (0.87) CYP3A4PGRARNR3C1HIF1A
Halcinonide SCHEMBL24015431 0.83 NR3C1 (1.00) CYP3A4PGRARNR3C1USP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5017567-A Steroid antiinflammatory SCHERING CORPORATION (US) 1991-05-21 — — US claimed
US-4885293-A CARBOXYALKYL DIPEPTIDES SCHERING CORPORATION (US) 1989-12-05 — — US claimed
US-4783444-A SUBSTITUTED DIPEPTIDES SCHERING CORPORATION (US) 1988-11-08 — — US claimed
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