SCHEMBL11321384

SCHEMBL11321384

CC(=O)OCC(=O)[C@@]12OC(C)(C)OC1C[C@H]1[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]34O[C@H]4C[C@@]12C

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR3C1 P04150 8/20 0.78
▸ HIF1A Q16665 7/20 0.78
▸ LMNA P02545 6/20 0.78
▸ PGR P06401 6/20 0.78
▸ AR P10275 3/20 0.78
▸ ALDH1A1 P00352 2/20 0.78
▸ MEN1 O00255 1/20 0.78
▸ KMT2A Q03164 1/20 0.78
▸ CYP3A4 P08684 6/20 0.61
▸ MAPT P10636 2/20 0.61
▸ HSD17B10 Q99714 2/20 0.61
▸ KDM4E B2RXH2 2/20 0.61
▸ TDP1 Q9NUW8 1/20 0.61
▸ MAPK1 P28482 1/20 0.61
▸ CNR1 P21554 1/20 0.54
▸ KCNH2 Q12809 1/20 0.54
▸ NPSR1 Q6W5P4 1/20 0.54
▸ USP2 O75604 1/20 0.54
▸ CYP2C19 P33261 1/20 0.51
▸ ABCB11 O95342 1/20 0.51

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
SCHEMBL11315259 0.90 NR3C1 (0.64) NR3C1HIF1ALMNAPGRAR
Fluocinonide SCHEMBL2962841 0.87 HIF1A (1.00) NR3C1HIF1ALMNAPGRAR
Fluocinonide SCHEMBL13072779 0.87 HIF1A (1.00) NR3C1HIF1ALMNAPGRAR
Fluocinonide SCHEMBL13026147 0.87 HIF1A (1.00) NR3C1HIF1ALMNAPGRAR
Fluocinonide SCHEMBL13568069 0.87 HIF1A (1.00) NR3C1HIF1ALMNAPGRAR
Fluocinonide SCHEMBL4262 0.87 HIF1A (1.00) NR3C1HIF1ALMNAPGRAR
Fluocinonide SCHEMBL13072509 0.87 HIF1A (1.00) NR3C1HIF1ALMNAPGRAR
Fluocinonide SCHEMBL2800723 0.87 HIF1A (1.00) NR3C1HIF1ALMNAPGRAR
Fluocinonide SCHEMBL9338347 0.87 HIF1A (1.00) NR3C1HIF1ALMNAPGRAR
SCHEMBL6245242 0.87 NR3C1 (0.63) NR3C1HIF1ALMNAPGRAR

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-4255331-A 3-Acetoxy-9β-11β-epoxy-dienes and the preparation of the corresponding 6α-halogen-4-ene-3-ones PROCHEM ESTABLISHMENT (LI) 1981-03-10 — — US disclosed
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