SCHEMBL8409857

SCHEMBL8409857

C[C@]12C[C@H](c3ccc(OS(=O)(=O)C(F)(F)F)cc3)[C@H]3[C@@H](C=CC4=CC(=O)CC[C@@H]43)[C@@H]1CC[C@@]2(O)CC#N

nearest known ligand 0.38

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ NR3C1 P04150 17/20 0.38
▸ PGR P06401 15/20 0.37
▸ AR P10275 13/20 0.37
▸ NR3C2 P08235 2/20 0.35
▸ CYP3A4 P08684 1/20 0.34

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
SCHEMBL8407122 0.86 PGR (0.40) NR3C1PGRARNR3C2CYP3A4
SCHEMBL8624242 0.86 NR3C1 (0.48) NR3C1PGRARCYP3A4
SCHEMBL8410185 0.84 PGR (0.40) NR3C1PGRARNR3C2CYP3A4
SCHEMBL8409910 0.82 PGR (0.37) NR3C1PGRARNR3C2CYP3A4
SCHEMBL8407111 0.82 NR3C1 (0.38) NR3C1PGRARNR3C2CYP3A4
SCHEMBL13417580 0.77 NR3C1 (0.57) NR3C1PGRARNR3C2CYP3A4
SCHEMBL8408961 0.75 NR3C1 (0.57) NR3C1PGRAR
SCHEMBL8620182 0.73 NR3C1 (0.40) NR3C1PGRARCYP3A4
SCHEMBL8424820 0.72 PGR (0.55) NR3C1PGRARNR3C2
SCHEMBL8407237 0.71 NR3C1 (0.54) NR3C1PGRARNR3C2CYP3A4

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
EP-0565553-B1 6,7-MODIFIED 11$g(b)-ARYL-4-ESTRENES SCHERING AG (DE) 1999-07-21 — — EP disclosed
US-5843931-A 6,7-modified 11β-aryl-4-oestrenes SHERING AKTIENGESELLSCHAFT (DE) 1998-12-01 — — US disclosed
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