SCHEMBL20048207

SCHEMBL20048207

CC(C)(C)C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(O)CC[C@@H]4[C@H]3[C@@H](c3ccc4c(c3)OCO4)C[C@@]21C

nearest known ligand 0.54

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ NR3C1 P04150 20/20 0.54
▸ PGR P06401 10/20 0.54
▸ AR P10275 9/20 0.54
▸ CYP3A4 P08684 2/20 0.52

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
SCHEMBL21169759 0.95 NR3C1 (0.55) NR3C1PGRARCYP3A4
SCHEMBL20048085 0.87 NR3C1 (0.73) NR3C1PGRARCYP3A4
SCHEMBL20048202 0.83 NR3C1 (0.55) NR3C1PGRARCYP3A4
SCHEMBL22903769 0.83 NR3C1 (0.66) NR3C1PGRARCYP3A4
SCHEMBL20048082 0.82 NR3C1 (0.73) NR3C1PGRARCYP3A4
SCHEMBL22903824 0.82 NR3C1 (0.76) NR3C1PGRARCYP3A4
SCHEMBL21729671 0.82 NR3C1 (0.68) NR3C1PGRARCYP3A4
SCHEMBL22903833 0.81 NR3C1 (0.52) NR3C1PGRARCYP3A4
SCHEMBL21470274 0.81 NR3C1 (0.77) NR3C1PGRARCYP3A4
SCHEMBL21470349 0.81 NR3C1 (0.61) NR3C1PGRARCYP3A4

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-2018068021-A1 INHIBITORS OF GLUCOCORTICOID RECEPTOR ORIC PHARMACEUTICALS, INC. (US) 2018-04-12 — — WO disclosed
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