SCHEMBL8407074

SCHEMBL8407074

C[C@]12C[C@H](c3ccc(OS(=O)(=O)C(F)(F)F)cc3)[C@H]3[C@@H](CC=C4CC5(CC[C@@H]43)OCCO5)[C@@H]1CCC21OCCO1

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ PGR P06401 2/20 0.33
▸ AKR1C3 P42330 1/20 0.31
▸ NR3C1 P04150 1/20 0.30
▸ AR P10275 1/20 0.30
▸ POLB P06746 1/20 0.30
▸ MAPT P10636 1/20 0.30

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
SCHEMBL6864127 0.92 AKR1C3 (0.33) PGRAKR1C3
SCHEMBL8425100 0.89 PGR (0.47) PGRAKR1C3NR3C1AR
SCHEMBL8407252 0.87 PGR (0.37) PGRNR3C1ARPOLBMAPT
SCHEMBL9174030 0.85 MAPT (0.42) AKR1C3POLBMAPT
SCHEMBL8407179 0.84 PGR (0.36) PGRNR3C1ARPOLBMAPT
SCHEMBL8410110 0.84 PGR (0.36) PGRNR3C1ARPOLBMAPT
SCHEMBL5891966 0.84 PGR (0.36) PGRNR3C1ARPOLBMAPT
SCHEMBL5891671 0.82 AKR1C3 (0.33) PGRAKR1C3NR3C1AR
SCHEMBL5891654 0.82 AKR1C3 (0.34) PGRAKR1C3NR3C1AR
SCHEMBL7868038 0.82 AKR1C3 (0.34) PGRAKR1C3NR3C1AR

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0565553-B1 6,7-MODIFIED 11$g(b)-ARYL-4-ESTRENES SCHERING AG (DE) 1999-07-21 — — EP disclosed
US-5843931-A 6,7-modified 11β-aryl-4-oestrenes SHERING AKTIENGESELLSCHAFT (DE) 1998-12-01 — — US disclosed
US-5405979-A Stereoselectively reducing phenyl-substituted estradiene with electropositive metal in electron-solvating solvent, cleaving ketone protective group with acid SCHERING AKTIENGESELLSCHAFT (DE) 1995-04-11 — — US disclosed
EP-0532562-B1 PROCESS FOR PRODUCING 10$g(b)-H-STEROIDS SCHERING AG (DE) 1994-11-23 — — EP disclosed
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