SCHEMBL8767954

SCHEMBL8767954

COc1ccc([C@H]2C[C@@]3(C)C(=CC[C@]3(C)O)[C@@H]3CC=C4CC(=O)CC[C@@H]4[C@@H]23)cc1

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 2/20 0.33
▸ NR3C1 P04150 7/20 0.32
▸ PGR P06401 7/20 0.32
▸ AR P10275 5/20 0.32
▸ DDB1 Q16531 1/20 0.32
▸ CRBN Q96SW2 1/20 0.32

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
SCHEMBL8767931 0.84 NR3C1 (0.42) CYP3A4NR3C1PGRARDDB1
SCHEMBL8767814 0.75 — —
SCHEMBL8767823 0.73 PGR (0.40) CYP3A4NR3C1PGRAR
SCHEMBL8768906 0.69 — —
SCHEMBL8768195 0.69 PGR (0.36) CYP3A4NR3C1PGRAR
SCHEMBL8768993 0.69 PGR (0.38) CYP3A4NR3C1PGRAR
SCHEMBL8768846 0.65 — —
SCHEMBL8650538 0.63 PGR (0.50) CYP3A4NR3C1PGRAR
SCHEMBL8768030 0.62 NR3C1 (0.41) CYP3A4NR3C1PGRAR
SCHEMBL8767749 0.62 NR3C1 (0.49) CYP3A4NR3C1PGRAR

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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