SCHEMBL8410268

SCHEMBL8410268

C[C@]12C[C@H](c3ccc(-c4ccc(C#N)cc4)cc3)[C@H]3[C@@H](C=CC4=CC(=O)CC[C@@H]43)[C@@H]1CC[C@@]2(O)/C=C\CO

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ PGR P06401 12/20 0.35
▸ AR P10275 11/20 0.35
▸ NR3C2 P08235 2/20 0.35
▸ NR3C1 P04150 10/20 0.34
▸ CYP19A1 P11511 1/20 0.32
▸ 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
SCHEMBL8407061 0.89 PGR (0.37) PGRARNR3C2NR3C1CYP3A4
SCHEMBL8407053 0.89 NR3C1 (0.36) PGRARNR3C2NR3C1CYP3A4
SCHEMBL9649843 0.85 PGR (0.38) PGRARNR3C2NR3C1CYP3A4
SCHEMBL8407284 0.84 NR3C1 (0.41) PGRARNR3C2NR3C1CYP3A4
SCHEMBL8536675 0.83 PGR (0.50) PGRARNR3C1CYP3A4
SCHEMBL8768221 0.83 PGR (0.50) PGRARNR3C1CYP3A4
SCHEMBL9019818 0.83 PGR (0.50) PGRARNR3C1CYP3A4
SCHEMBL7200581 0.83 PGR (0.50) PGRARNR3C1CYP3A4
SCHEMBL8408969 0.83 NR3C1 (0.48) PGRARNR3C2NR3C1CYP3A4
SCHEMBL8653821 0.79 PGR (0.47) 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$g(b)-ARYL-4-ESTRENES SCHERING AG (DE) 1999-07-21 — — EP claimed
EP-0565553-B1 6,7-MODIFIED 11$g(b)-ARYL-4-ESTRENES SCHERING AG (DE) 1999-07-21 — — EP disclosed
Send feedback