SCHEMBL12323211

SCHEMBL12323211

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)CI)O1

nearest known ligand 0.86

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ NR3C1 P04150 7/20 0.86
▸ PGR P06401 6/20 0.86
▸ CYP3A4 P08684 5/20 0.86
▸ AR P10275 4/20 0.86
▸ USP2 O75604 2/20 0.86
▸ LMNA P02545 6/20 0.62
▸ HIF1A Q16665 4/20 0.62
▸ NR1I2 O75469 1/20 0.62
▸ HSD17B10 Q99714 2/20 0.56
▸ HRH1 P35367 1/20 0.53
▸ MAPT P10636 2/20 0.52
▸ CNR1 P21554 1/20 0.52
▸ KCNH2 Q12809 1/20 0.52
▸ NPSR1 Q6W5P4 1/20 0.52
▸ TDP1 Q9NUW8 1/20 0.49
▸ KDM4E B2RXH2 1/20 0.49
▸ MAPK1 P28482 1/20 0.49

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
SCHEMBL8904914 0.93 NR3C1 (0.86) NR3C1PGRCYP3A4ARUSP2
Halcinonide SCHEMBL4335 0.92 NR3C1 (1.00) NR3C1PGRCYP3A4ARUSP2
Halcinonide SCHEMBL13026159 0.92 NR3C1 (1.00) NR3C1PGRCYP3A4ARUSP2
Halcinonide SCHEMBL10019829 0.92 NR3C1 (1.00) NR3C1PGRCYP3A4ARUSP2
Halcinonide SCHEMBL8467031 0.92 NR3C1 (1.00) NR3C1PGRCYP3A4ARUSP2
Halcinonide SCHEMBL24015431 0.92 NR3C1 (1.00) NR3C1PGRCYP3A4ARUSP2
Halcinonide SCHEMBL5489567 0.92 NR3C1 (1.00) NR3C1PGRCYP3A4ARUSP2
Halcinonide SCHEMBL5188866 0.92 NR3C1 (1.00) NR3C1PGRCYP3A4ARUSP2
Halcinonide SCHEMBL4336 0.92 NR3C1 (1.00) NR3C1PGRCYP3A4ARUSP2
Halcinonide SCHEMBL7861670 0.92 NR3C1 (1.00) NR3C1PGRCYP3A4ARUSP2

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
WO-2011109711-A1 GLUCOCORTICOID DRUGS AS SMOOTHENED AGONISTS DUKE UNIVERSITY (US) 2011-09-09 — — WO disclosed
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