Sugi Predict

Sugi Predict / Compounds / SCHEMBL13769112

SCHEMBL13769112

SCHEMBL13769112

CCCC1O[C@@H]2C[C@H]3[C@@H]4CCC5=Cc6c(cnn6-c6ccc(F)cc6)C[C@]5(C)[C@H]4[C@@H](O)C[C@]3(C)[C@]2(C(=O)SC=O)O1

nearest known ligand 0.66

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ NR3C1 P04150 20/20 0.66

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
SCHEMBL2024137 0.93 NR3C1 (0.70) NR3C1
SCHEMBL12574253 0.92 NR3C1 (0.65) NR3C1
SCHEMBL12574252 0.91 NR3C1 (0.68) NR3C1
SCHEMBL2016820 0.91 NR3C1 (0.78) NR3C1
SCHEMBL12574239 0.91 NR3C1 (0.78) NR3C1
SCHEMBL12574257 0.91 NR3C1 (0.63) NR3C1
SCHEMBL2017247 0.87 NR3C1 (0.63) NR3C1
SCHEMBL2023082 0.83 NR3C1 (0.73) NR3C1
SCHEMBL2018429 0.83 NR3C1 (0.73) NR3C1
SCHEMBL12574221 0.82 NR3C1 (0.69) NR3C1

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-2009082342-A1 STEROID DERIVATIVES ACTING AS GLUCOCORTICOSTEROID RECEPTOR AGONISTS ASTRAZENECA AB (SE) 2009-07-02 — — WO disclosed
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