SCHEMBL8536181

SCHEMBL8536181

C=CC[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 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PGR P06401 18/20 0.49
▸ NR3C1 P04150 10/20 0.47
▸ AR P10275 8/20 0.47
▸ CYP3A4 P08684 1/20 0.45
▸ ALDH1A1 P00352 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ ESR1 P03372 1/20 0.40
▸ CHRM2 P08172 1/20 0.40
▸ ADORA3 P0DMS8 1/20 0.40
▸ CHRM1 P11229 1/20 0.40
▸ PTGS1 P23219 1/20 0.40
▸ SLC6A2 P23975 1/20 0.40
▸ SLC6A4 P31645 1/20 0.40
▸ SLC6A3 Q01959 1/20 0.40

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
SCHEMBL8541047 0.89 PGR (0.48) PGRNR3C1ARCYP3A4ALDH1A1
SCHEMBL8536387 0.88 PGR (0.51) PGRNR3C1ARCYP3A4ALDH1A1
SCHEMBL8768109 0.88 PGR (0.47) PGRNR3C1ARCYP3A4ALDH1A1
SCHEMBL9019862 0.85 PGR (0.38) PGRNR3C1ARCYP3A4ALDH1A1
SCHEMBL8538113 0.84 PGR (0.47) PGRNR3C1ARCYP3A4LMNA
SCHEMBL8424666 0.83 PGR (0.71) PGRNR3C1ARCYP3A4
SCHEMBL9019827 0.83 NR3C1 (0.59) PGRNR3C1ARCYP3A4ALDH1A1
SCHEMBL5498124 0.83 PGR (0.49) PGRNR3C1ARCYP3A4ALDH1A1
SCHEMBL8767958 0.79 NR3C1 (0.42) PGRNR3C1ARCYP3A4LMNA
SCHEMBL8540722 0.79 ALDH1A1 (0.49) PGRNR3C1ARCYP3A4ALDH1A1

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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