SCHEMBL8407053

SCHEMBL8407053

CSc1ccc(-c2ccc([C@H]3C[C@@]4(C)[C@@H](CC[C@@]4(O)/C=C\CO)[C@@H]4C=CC5=CC(=O)CC[C@@H]5[C@H]43)cc2)cc1

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ NR3C1 P04150 11/20 0.36
▸ PGR P06401 12/20 0.36
▸ AR P10275 10/20 0.36
▸ NR3C2 P08235 2/20 0.36
▸ CYP3A4 P08684 1/20 0.31

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
SCHEMBL8407061 0.89 PGR (0.37) NR3C1PGRARNR3C2CYP3A4
SCHEMBL8410268 0.89 PGR (0.35) NR3C1PGRARNR3C2CYP3A4
SCHEMBL9649843 0.86 PGR (0.38) NR3C1PGRARNR3C2CYP3A4
SCHEMBL8618678 0.83 NR3C1 (0.45) NR3C1PGRARNR3C2CYP3A4
SCHEMBL8407111 0.83 NR3C1 (0.38) NR3C1PGRARNR3C2CYP3A4
SCHEMBL8407402 0.82 NR3C1 (0.54) NR3C1PGRARNR3C2CYP3A4
SCHEMBL8407284 0.73 NR3C1 (0.41) NR3C1PGRARNR3C2CYP3A4
SCHEMBL10400825 0.72 NR3C1 (0.68) NR3C1PGRARNR3C2CYP3A4
SCHEMBL10596049 0.72 NR3C1 (0.68) NR3C1PGRARNR3C2CYP3A4
SCHEMBL9019818 0.72 PGR (0.50) 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 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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