SCHEMBL8536387

SCHEMBL8536387

C[C@]12C[C@H](c3ccc(-c4cccnc4)cc3)[C@H]3[C@@H](CCC4=CC(=O)CC[C@@H]43)[C@@H]1CC[C@@]2(O)CC#N

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PGR P06401 15/20 0.51
▸ NR3C1 P04150 9/20 0.51
▸ AR P10275 7/20 0.51
▸ CYP3A4 P08684 3/20 0.47
▸ LMNA P02545 2/20 0.39
▸ ABCB11 O95342 2/20 0.39
▸ TSHR P16473 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ HIF1A Q16665 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ ESR1 P03372 1/20 0.39
▸ SHBG P04278 1/20 0.39
▸ ADRA2A P08913 1/20 0.39
▸ SLC6A4 P31645 1/20 0.39

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
SCHEMBL8537287 0.90 PDK1 (0.41) PGRNR3C1ARCYP3A4SLC6A4
SCHEMBL8587938 0.90 PDK1 (0.41) PGRNR3C1ARCYP3A4SLC6A4
SCHEMBL8541047 0.89 PGR (0.48) PGRNR3C1ARCYP3A4LMNA
SCHEMBL8536181 0.88 PGR (0.49) PGRNR3C1ARCYP3A4LMNA
SCHEMBL8768109 0.88 PGR (0.47) PGRNR3C1ARCYP3A4LMNA
SCHEMBL8536118 0.87 PGR (0.51) PGRNR3C1ARCYP3A4LMNA
SCHEMBL9019827 0.85 NR3C1 (0.59) PGRNR3C1ARCYP3A4LMNA
SCHEMBL8639950 0.85 PGR (0.35) PGRNR3C1ARCYP3A4
SCHEMBL9019878 0.84 NR3C1 (0.69) PGRNR3C1ARCYP3A4LMNA
SCHEMBL8767796 0.84 PGR (0.55) PGRNR3C1ARCYP3A4LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0404283-B1 11-Beta-aryl-4-estrene, method for its production and its use as a medicine SCHERING AG (DE) 1996-05-08 — — EP claimed
EP-0404283-A2 11-Beta-aryl-4-estrene, method for its production and its use as a medicine SCHERING AKTIENGESELLSCHAFT (DE) 1990-12-27 — — EP claimed
US-5843933-A 11β-aryl-4-estrenes, process for their production as well as their use as pharmaceutical agents SCHERING AKTIENGESELLSCHAFT (DE) 1998-12-01 — — US disclosed
US-5728689-A ANTIGESTAGENIC EFFECT SCHERING AKTIENGESELLSCHAFT (DE) 1998-03-17 — — US disclosed
EP-0404283-B1 11-Beta-aryl-4-estrene, method for its production and its use as a medicine SCHERING AG (DE) 1996-05-08 — — EP 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
WO-1991018918-A1 PROCESS FOR PRODUCING 10β-H-STEROIDS SCHERING AKTIENGESELLSCHAFT BERLIN UND BERGKAMEN (DE) 1991-12-12 — — WO disclosed
EP-0404283-A2 11-Beta-aryl-4-estrene, method for its production and its use as a medicine SCHERING AKTIENGESELLSCHAFT (DE) 1990-12-27 — — EP disclosed
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