Fluticasone

Fluticasone

SCHEMBL28768408

CC(C)(C)C(=O)O.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)SCF

nearest known ligand 0.91

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Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 14/20 0.91
CYP3A4 P08684 4/20 0.70
PGR P06401 4/20 0.70
AR P10275 4/20 0.70
HIF1A Q16665 2/20 0.70
ABCB11 O95342 1/20 0.70
ALDH1A1 P00352 1/20 0.70
MAPT P10636 1/20 0.70
RAB9A P51151 1/20 0.70
SMN1; SMN2 Q16637 1/20 0.70
MEN1 O00255 1/20 0.69
ALOX15 P16050 1/20 0.69
KMT2A Q03164 1/20 0.69
NR3C2 P08235 2/20 0.67
NR1I2 O75469 1/20 0.67
ADORA3 P0DMS8 1/20 0.67
CNR1 P21554 1/20 0.61
PTGS1 P23219 1/20 0.61

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
Fluticasone SCHEMBL4069 0.95 NR3C1 (1.00) NR3C1CYP3A4PGRARHIF1A
Fluticasone SCHEMBL14135286 0.95 NR3C1 (1.00) NR3C1CYP3A4PGRARHIF1A
Fluticasone SCHEMBL65401 0.95 NR3C1 (1.00) NR3C1CYP3A4PGRARHIF1A
Fluticasone SCHEMBL2231799 0.95 NR3C1 (1.00) NR3C1CYP3A4PGRARHIF1A
Fluticasone SCHEMBL27674669 0.94 NR3C1 (0.95) NR3C1CYP3A4PGRARHIF1A
Fluticasone SCHEMBL28821706 0.94 NR3C1 (0.98) NR3C1CYP3A4PGRARHIF1A
Fluticasone SCHEMBL28888601 0.94 NR3C1 (0.98) NR3C1CYP3A4PGRARHIF1A
Fluticasone SCHEMBL896670 0.94 NR3C1 (0.93) NR3C1CYP3A4PGRARHIF1A
Fluticasone SCHEMBL28935320 0.94 NR3C1 (0.97) NR3C1CYP3A4PGRARHIF1A
Fluticasone SCHEMBL3365958 0.92 NR3C1 (0.91) NR3C1CYP3A4PGRARHIF1A

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
CN-115536594-A 5-amino-2,3-dihydrothiazine-1,4-dione crystal 麦翠奥制药公司 2022-12-30 CN disclosed
CN-109071461-B Method for preparing 5-amino-2, 3-dihydrophthalazine-1, 4-diketone crystal 麦翠奥制药公司 2022-06-21 CN disclosed