SCHEMBL8767958

SCHEMBL8767958

C[C@]1(O)C=C[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 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ NR3C1 P04150 8/20 0.42
▸ PGR P06401 16/20 0.42
▸ AR P10275 8/20 0.42
▸ CYP3A4 P08684 1/20 0.40
▸ CYP17A1 P05093 2/20 0.35
▸ CYP21A2 P08686 1/20 0.35
▸ CYP19A1 P11511 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ ESR1 P03372 1/20 0.35
▸ SLC6A4 P31645 1/20 0.35
▸ OPRM1 P35372 1/20 0.35

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
SCHEMBL5499361 0.88 NR3C1 (0.41) NR3C1PGRARCYP3A4CYP17A1
SCHEMBL8768908 0.84 NR3C1 (0.46) NR3C1PGRARCYP3A4LMNA
SCHEMBL8768257 0.84 PGR (0.46) NR3C1PGRARCYP3A4LMNA
SCHEMBL8767959 0.84 NR3C1 (0.46) NR3C1PGRARCYP3A4LMNA
SCHEMBL8767749 0.83 NR3C1 (0.49) NR3C1PGRARCYP3A4LMNA
SCHEMBL8767722 0.82 PGR (0.48) NR3C1PGRARCYP3A4LMNA
SCHEMBL8767961 0.82 PGR (0.48) NR3C1PGRARCYP3A4LMNA
SCHEMBL8768876 0.82 PGR (0.61) NR3C1PGRARCYP3A4LMNA
SCHEMBL9019827 0.80 NR3C1 (0.59) NR3C1PGRARCYP3A4LMNA
SCHEMBL8541047 0.80 PGR (0.48) NR3C1PGRARCYP3A4LMNA

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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