SCHEMBL8410097

SCHEMBL8410097

C[C@@H]1C[C@@H]2[C@H]([C@@H](c3ccc(-c4ccoc4)cc3)C[C@@]3(C)[C@H]2CC[C@@]3(O)/C=C\CO)[C@H]2CCC(=O)C=C12

nearest known ligand 0.37

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ PGR P06401 15/20 0.37
▸ AR P10275 13/20 0.36
▸ NR3C1 P04150 11/20 0.36
▸ CYP3A4 P08684 1/20 0.34
▸ NR3C2 P08235 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
SCHEMBL8410075 1.00 PGR (0.37) PGRARNR3C1CYP3A4NR3C2
SCHEMBL8407038 0.88 PGR (0.36) PGRARNR3C1CYP3A4
SCHEMBL8409808 0.88 PGR (0.36) PGRARNR3C1CYP3A4
SCHEMBL9019835 0.87 PGR (0.49) PGRARNR3C1CYP3A4NR3C2
SCHEMBL8409853 0.87 PGR (0.36) PGRARNR3C1CYP3A4
SCHEMBL8407400 0.87 PGR (0.36) PGRARNR3C1CYP3A4
SCHEMBL8407082 0.86 PGR (0.42) PGRARNR3C1CYP3A4
SCHEMBL8407055 0.86 PGR (0.42) PGRARNR3C1CYP3A4
SCHEMBL8407121 0.86 PGR (0.39) PGRARNR3C1CYP3A4
SCHEMBL8409944 0.86 PGR (0.39) PGRARNR3C1CYP3A4

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 claimed
US-5843931-A 6,7-modified 11β-aryl-4-oestrenes SHERING AKTIENGESELLSCHAFT (DE) 1998-12-01 — — US disclosed
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