SCHEMBL8427168

SCHEMBL8427168

C=C1CCO[C@@]12CC[C@H]1[C@H]3[C@H](CC[C@@]12C)[C@H]1CCC(=O)C=C1C[C@H]3C

nearest known ligand 0.69

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ AR P10275 12/20 0.64
▸ PGR P06401 12/20 0.64
▸ NR3C2 P08235 5/20 0.64
▸ SHBG P04278 1/20 0.44
▸ NR3C1 P04150 1/20 0.43
▸ LMNA P02545 1/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ TSHR P16473 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ HIF1A Q16665 1/20 0.43

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
SCHEMBL8423021 0.84 PGR (0.62) ARPGRNR3C2SHBGNR3C1
Mibolerone SCHEMBL565277 0.82 AR (0.67) ARPGRNR3C2SHBGNR3C1
Mibolerone SCHEMBL14275154 0.82 AR (0.67) ARPGRNR3C2SHBGNR3C1
Mibolerone SCHEMBL10603681 0.82 AR (0.67) ARPGRNR3C2SHBGNR3C1
Mibolerone SCHEMBL4362587 0.82 AR (0.67) ARPGRNR3C2SHBGNR3C1
SCHEMBL13062434 0.80 AR (0.66) ARPGRNR3C2SHBG
SCHEMBL24476600 0.80 AR (0.64) ARPGRNR3C2SHBGNR3C1
SCHEMBL24476273 0.79 AR (0.61) ARPGRNR3C2SHBGNR3C1
SCHEMBL24476182 0.79 AR (0.63) ARPGRNR3C2SHBGNR3C1
SCHEMBL13013543 0.78 AR (1.00) ARPGRNR3C2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0582338-B1 17-Spiromethylene steroids AKZO NOBEL NV (NL) 1999-10-20 — — EP disclosed
US-5854235-A 17-spiromethylene steroids AKZO NOBEL N.V. (NL) 1998-12-29 — — US disclosed
US-5712264-A 17-spiromethylene steroids AKZO NOBEL N.V. (NL) 1998-01-27 — — US disclosed
EP-0582338-A2 17-Spiromethylene steroids Akzo Nobel N.V. (NL) 1994-02-09 — — EP disclosed
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