SCHEMBL20048227

SCHEMBL20048227

CCN(CC)c1ccc([C@H]2C[C@@]3(C)C(CC[C@@]3(O)C#CC(C)(C)C)[C@@H]3CCC4=CC(=O)CC[C@@H]4C32)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ NR3C1 P04150 19/20 1.00
▸ PGR P06401 15/20 1.00
▸ AR P10275 12/20 1.00
▸ CYP3A4 P08684 2/20 0.79
▸ CYP2C8 P10632 1/20 0.46

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
SCHEMBL20048212 1.00 NR3C1 (1.00) NR3C1PGRARCYP3A4CYP2C8
SCHEMBL30324808 1.00 NR3C1 (1.00) NR3C1PGRARCYP3A4CYP2C8
SCHEMBL20048415 0.93 NR3C1 (0.87) NR3C1PGRARCYP3A4CYP2C8
SCHEMBL20048418 0.93 NR3C1 (0.87) NR3C1PGRARCYP3A4CYP2C8
SCHEMBL19042673 0.91 NR3C1 (1.00) NR3C1PGRARCYP3A4CYP2C8
SCHEMBL23653772 0.90 NR3C1 (0.88) NR3C1PGRARCYP3A4CYP2C8
SCHEMBL20048092 0.90 NR3C1 (0.88) NR3C1PGRARCYP3A4CYP2C8
SCHEMBL20048417 0.90 NR3C1 (0.81) NR3C1PGRARCYP3A4CYP2C8
SCHEMBL19042724 0.89 NR3C1 (0.83) NR3C1PGRARCYP3A4
SCHEMBL21143406 0.88 NR3C1 (1.00) NR3C1PGRARCYP3A4CYP2C8

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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