SCHEMBL8768109

SCHEMBL8768109

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)CCCO

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ PGR P06401 15/20 0.47
▸ NR3C1 P04150 9/20 0.47
▸ AR P10275 8/20 0.47
▸ CYP3A4 P08684 3/20 0.45
▸ NR3C2 P08235 1/20 0.42
▸ LMNA P02545 2/20 0.37
▸ TSHR P16473 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ HIF1A Q16665 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37

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) PGRNR3C1ARCYP3A4LMNA
SCHEMBL8536181 0.88 PGR (0.49) PGRNR3C1ARCYP3A4LMNA
SCHEMBL8536387 0.88 PGR (0.51) PGRNR3C1ARCYP3A4LMNA
SCHEMBL8652179 0.86 PGR (0.42) PGRNR3C1ARCYP3A4
SCHEMBL8767943 0.85 PGR (0.51) PGRNR3C1ARCYP3A4NR3C2
SCHEMBL8767837 0.85 PGR (0.50) PGRNR3C1ARCYP3A4NR3C2
SCHEMBL8538113 0.84 PGR (0.47) PGRNR3C1ARCYP3A4LMNA
SCHEMBL30107690 0.84 PGR (0.66) PGRNR3C1ARCYP3A4NR3C2
SCHEMBL8767831 0.84 PGR (0.53) PGRNR3C1ARCYP3A4NR3C2
SCHEMBL9019827 0.83 NR3C1 (0.59) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0567469-B1 14beta-H-, 14- AND 15-EN-11beta-ARYL-4-ESTRENES SCHERING AG (DE) 1997-08-27 — — EP claimed
EP-0567469-B1 14beta-H-, 14- AND 15-EN-11beta-ARYL-4-ESTRENES SCHERING AG (DE) 1997-08-27 — — EP disclosed
US-5426102-A Antigestagenic, antiandrogenic, antiglucocorticoid, antimineralcorticoid properties SCHERING AKTIENGESELLSCHAFT (DE) 1995-06-20 — — US disclosed
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