SCHEMBL13178131

SCHEMBL13178131

CC1(C)O[C@@H]2C[C@H]3[C@@H]4C[C@H](F)C5=CC(=O)C=C[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)C2(C(=O)S)O1

nearest known ligand 0.81

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ NR3C1 P04150 10/20 0.81
▸ LMNA P02545 5/20 0.81
▸ HIF1A Q16665 5/20 0.81
▸ PGR P06401 5/20 0.81
▸ AR P10275 3/20 0.81
▸ CYP3A4 P08684 2/20 0.81
▸ MAPT P10636 2/20 0.81
▸ HSD17B10 Q99714 1/20 0.81
▸ TDP1 Q9NUW8 1/20 0.81
▸ KDM4E B2RXH2 1/20 0.81
▸ MAPK1 P28482 1/20 0.81
▸ ALDH1A1 P00352 2/20 0.75
▸ MEN1 O00255 1/20 0.75
▸ KMT2A Q03164 1/20 0.75
▸ NR1I2 O75469 1/20 0.59
▸ ESR1 P03372 1/20 0.58
▸ ABCB11 O95342 1/20 0.56
▸ RAB9A P51151 1/20 0.56
▸ SMN1; SMN2 Q16637 1/20 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
SCHEMBL13178133 1.00 NR3C1 (0.81) NR3C1LMNAHIF1APGRAR
SCHEMBL24622359 1.00 NR3C1 (0.81) NR3C1LMNAHIF1APGRAR
SCHEMBL11436422 0.94 NR3C1 (0.85) NR3C1LMNAHIF1APGRAR
SCHEMBL24622511 0.94 NR3C1 (0.85) NR3C1LMNAHIF1APGRAR
SCHEMBL7899994 0.94 NR3C1 (0.85) NR3C1LMNAHIF1APGRAR
SCHEMBL11733697 0.92 NR3C1 (0.82) NR3C1LMNAHIF1APGRAR
SCHEMBL13178082 0.91 NR3C1 (0.71) NR3C1LMNAHIF1APGRAR
SCHEMBL8205284 0.91 NR3C1 (0.86) NR3C1LMNAHIF1APGRAR
SCHEMBL6324045 0.90 NR3C1 (0.80) NR3C1LMNAHIF1APGRAR
Fluocinolone Acetonide SCHEMBL4116560 0.90 NR3C1 (1.00) NR3C1LMNAHIF1APGRAR

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
WO-2009108118-A9 16 ALPHA, 17 ALPHA-ACETAL GLUCOCORTICOSTEROIDAL DERIVATIVES AND THEIR USE ASTRAZENECA AB (SE) 2010-09-02 — — WO disclosed
WO-2009108118-A1 16 ALPHA, 17 ALPA-ACETAL GLUCOCORTICOSTEROIDAL DERIVATIVES AND THEIR USE ASTRAZENECA AB (SE) 2009-09-03 — — WO disclosed
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