SCHEMBL8768216

SCHEMBL8768216

C[C@]1(O)C=C[C@H]2[C@@H]3CC=C4CC5(CC[C@@H]4[C@H]3[C@@H](c3ccc(OS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc3)C[C@@]21C)OCCO5

nearest known ligand 0.32

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ AKR1C3 P42330 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
SCHEMBL8768162 0.91 AKR1C3 (0.30) AKR1C3
SCHEMBL9169898 0.91 — —
SCHEMBL5891671 0.85 AKR1C3 (0.33) AKR1C3
SCHEMBL7868038 0.85 AKR1C3 (0.34) AKR1C3
SCHEMBL5891654 0.85 AKR1C3 (0.34) AKR1C3
SCHEMBL6864127 0.85 AKR1C3 (0.33) AKR1C3
SCHEMBL8768992 0.85 PGR (0.32) —
SCHEMBL8767744 0.82 PGR (0.32) —
SCHEMBL5891664 0.81 AKR1C3 (0.46) AKR1C3
SCHEMBL8768194 0.79 — —

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 2 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 disclosed
US-5426102-A Antigestagenic, antiandrogenic, antiglucocorticoid, antimineralcorticoid properties SCHERING AKTIENGESELLSCHAFT (DE) 1995-06-20 — — US disclosed
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