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Halobetasol Propionate

Halobetasol Propionate

SCHEMBL4633197

CCC(=O)O[C@]1(C(=O)CCl)[C@@H](C)C[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@@]21C.CCCCC(=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

nearest known ligand 0.62

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

NR3C1

The experimentally established mechanism targets of Halobetasol Propionate. 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 0.56
▸ PGR P06401 6/20 0.62
▸ AR P10275 3/20 0.62
▸ ADORA3 P0DMS8 2/20 0.62
▸ CHRM1 P11229 2/20 0.62
▸ ADRA1A P35348 1/20 0.62
▸ KMT2A Q03164 2/20 0.60
▸ HIF1A Q16665 2/20 0.60
▸ NR3C2 P08235 6/20 0.59
▸ CYP3A4 P08684 5/20 0.55
▸ USP2 O75604 3/20 0.55
▸ MEN1 O00255 1/20 0.55
▸ LMNA P02545 3/20 0.54
▸ NR1I2 O75469 2/20 0.54
▸ NPSR1 Q6W5P4 2/20 0.54
▸ MLNR O43193 1/20 0.54
▸ ABCB11 O95342 1/20 0.54
▸ MAPT P10636 1/20 0.54
▸ CYP3A5 P20815 1/20 0.54
▸ PPARG P37231 1/20 0.54

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 0.87 NR3C1 (0.70) PGRKMT2AHIF1ANR3C2NR3C1
Clobetasone Butyrate SCHEMBL22042328 0.83 LMNA (0.69) PGRKMT2AHIF1ANR3C2NR3C1
Hydrocortisone Butyrate SCHEMBL3670655 0.82 KMT2A (0.59) PGRARADORA3CHRM1KMT2A
Hydrocortisone Valerate SCHEMBL7195472 0.80 HIF1A (0.63) PGRARADORA3CHRM1KMT2A
Fluocinolone Acetonide SCHEMBL15568127 0.80 HIF1A (0.57) PGRARKMT2AHIF1ANR3C2
Difluprednate SCHEMBL20270247 0.79 HIF1A (0.72) PGRARCHRM1KMT2AHIF1A
Halobetasol Propionate SCHEMBL4288075 0.79 PGR (0.63) PGRARADORA3CHRM1ADRA1A
SCHEMBL11121922 0.79 NR3C1 (0.75) PGRARADORA3CHRM1ADRA1A
SCHEMBL11121923 0.79 NR3C1 (0.75) PGRARADORA3CHRM1ADRA1A
SCHEMBL5501195 0.79 NR3C1 (0.75) PGRARADORA3CHRM1ADRA1A

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
WO-2014027006-A1 BIOADHESIVE FORMULATIONS FOR USE IN DRUG DELIVERY EDKO PAZARLAMA TANITIM TICARET LIMITED SIRKETI (TR) 2014-02-20 — — WO disclosed
EP-1926747-A1 MCP1 FUSIONS SCHERING CORPORATION (US) 2008-06-04 — — EP disclosed
WO-2007021807-A1 MCP1 FUSIONS SCHERING CORPORATION (US) 2007-02-22 — — WO disclosed
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