SCHEMBL8539945

SCHEMBL8539945

C[C@]12C[C@H](c3ccc(-c4cncnc4)cc3)[C@H]3[C@@H](CCC4=CC(=O)CC[C@@H]43)[C@@H]1CC[C@@]2(O)/C=C\CO

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ PGR P06401 11/20 0.48
▸ NR3C1 P04150 9/20 0.48
▸ AR P10275 8/20 0.48
▸ CYP3A4 P08684 3/20 0.46
▸ LMNA P02545 2/20 0.38
▸ ABCB11 O95342 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
▸ ESR1 P03372 1/20 0.38
▸ SHBG P04278 1/20 0.38
▸ ADRA2A P08913 1/20 0.38
▸ SLC6A4 P31645 1/20 0.38
▸ NR3C2 P08235 1/20 0.34

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
SCHEMBL8538113 0.92 PGR (0.47) PGRNR3C1ARCYP3A4LMNA
SCHEMBL8538261 0.88 PGR (0.53) PGRNR3C1ARCYP3A4LMNA
SCHEMBL8541353 0.88 PGR (0.53) PGRNR3C1ARCYP3A4LMNA
SCHEMBL8541351 0.88 PGR (0.53) PGRNR3C1ARCYP3A4LMNA
SCHEMBL8768221 0.88 PGR (0.50) PGRNR3C1ARCYP3A4LMNA
SCHEMBL8536675 0.88 PGR (0.50) PGRNR3C1ARCYP3A4LMNA
SCHEMBL9019818 0.88 PGR (0.50) PGRNR3C1ARCYP3A4LMNA
SCHEMBL7200581 0.88 PGR (0.50) PGRNR3C1ARCYP3A4LMNA
SCHEMBL8407038 0.87 PGR (0.36) PGRNR3C1ARCYP3A4
SCHEMBL8409808 0.87 PGR (0.36) 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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