SCHEMBL8541047

SCHEMBL8541047

COC[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3[C@@H](c3ccc(-c4cccnc4)cc3)C[C@@]21C

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ PGR P06401 14/20 0.48
▸ NR3C1 P04150 8/20 0.48
▸ AR P10275 7/20 0.48
▸ CYP3A4 P08684 3/20 0.48
▸ LMNA P02545 2/20 0.38
▸ TSHR P16473 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ HIF1A Q16665 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ ABCB11 O95342 1/20 0.38

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
SCHEMBL8768109 0.89 PGR (0.47) PGRNR3C1ARCYP3A4LMNA
SCHEMBL8536387 0.89 PGR (0.51) PGRNR3C1ARCYP3A4LMNA
SCHEMBL8536181 0.89 PGR (0.49) PGRNR3C1ARCYP3A4LMNA
SCHEMBL9019805 0.85 PGR (0.35) PGRNR3C1ARCYP3A4
SCHEMBL9019827 0.85 NR3C1 (0.59) PGRNR3C1ARCYP3A4LMNA
SCHEMBL8538113 0.84 PGR (0.47) PGRNR3C1ARCYP3A4LMNA
SCHEMBL5498124 0.84 PGR (0.49) PGRNR3C1ARCYP3A4LMNA
SCHEMBL8424666 0.83 PGR (0.71) PGRNR3C1ARCYP3A4
SCHEMBL8768805 0.83 PGR (0.55) PGRNR3C1ARCYP3A4LMNA
SCHEMBL9019768 0.83 PGR (0.68) PGRNR3C1ARCYP3A4

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 6 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
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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