SCHEMBL7197531

SCHEMBL7197531

CC(C)(C)OC(=O)NCC(=O)OC/C=C\[C@]1(O)CC[C@H]2C3CCC4=COCCC4C3[C@@H](c3ccc(-c4ccc(C#N)cc4)cc3)C[C@@]21C

nearest known ligand 0.34

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ NR3C1 P04150 8/20 0.34
▸ PGR P06401 8/20 0.34
▸ AR P10275 7/20 0.34
▸ CYP3A4 P08684 1/20 0.32

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
SCHEMBL7193422 0.90 NR3C1 (0.34) NR3C1PGRARCYP3A4
SCHEMBL7198823 0.89 NR3C1 (0.34) NR3C1PGRARCYP3A4
SCHEMBL7199636 0.84 PGR (0.34) NR3C1PGRARCYP3A4
SCHEMBL7200584 0.84 PGR (0.37) NR3C1PGRARCYP3A4
SCHEMBL7199834 0.78 PGR (0.57) NR3C1PGRARCYP3A4
SCHEMBL9019818 0.73 PGR (0.50) NR3C1PGRARCYP3A4
SCHEMBL8536675 0.73 PGR (0.50) NR3C1PGRARCYP3A4
SCHEMBL7200581 0.73 PGR (0.50) NR3C1PGRARCYP3A4
SCHEMBL8768221 0.73 PGR (0.50) NR3C1PGRARCYP3A4
SCHEMBL8653821 0.69 PGR (0.47) 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
US-6596713-B1 Antigestagenic, antiglucocorticoidal, antimineralcorticoidal or antiandrogenic effect SCHERING AKTIENGESELLSCHAFT (DE) 2003-07-22 — — US disclosed
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