SCHEMBL8541045

SCHEMBL8541045

C=Cc1ccc([C@H]2C[C@@]3(C)[C@@H](CC[C@]3(C)O)[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]32)cc1

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PGR P06401 10/20 0.59
▸ NR3C1 P04150 9/20 0.56
▸ AR P10275 7/20 0.56
▸ CYP3A4 P08684 3/20 0.53
▸ LMNA P02545 2/20 0.45
▸ ABCB11 O95342 2/20 0.45
▸ TSHR P16473 1/20 0.45
▸ CYP2C19 P33261 1/20 0.45
▸ HIF1A Q16665 1/20 0.45
▸ ALDH1A1 P00352 1/20 0.45
▸ ESR1 P03372 1/20 0.45
▸ SHBG P04278 1/20 0.45
▸ ADRA2A P08913 1/20 0.45
▸ SLC6A4 P31645 1/20 0.45

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
SCHEMBL9019833 0.88 PGR (0.64) PGRNR3C1ARCYP3A4LMNA
SCHEMBL8539739 0.86 PGR (0.53) PGRNR3C1ARCYP3A4LMNA
SCHEMBL23653624 0.83 PGR (0.75) PGRNR3C1ARCYP3A4LMNA
SCHEMBL8542538 0.82 SERPINA6 (0.54) PGRNR3C1ARCYP3A4HIF1A
SCHEMBL8541271 0.81 PGR (0.39) PGRNR3C1ARCYP3A4LMNA
SCHEMBL19042677 0.80 PGR (0.60) PGRNR3C1ARCYP3A4LMNA
SCHEMBL22861548 0.80 PGR (0.55) PGRNR3C1ARCYP3A4LMNA
SCHEMBL5499215 0.79 PGR (0.54) PGRNR3C1ARCYP3A4LMNA
SCHEMBL5499212 0.79 PGR (0.54) PGRNR3C1ARCYP3A4LMNA
SCHEMBL19042656 0.78 NR3C1 (0.68) 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 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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