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Sugi Predict / Compounds / SCHEMBL8424820

SCHEMBL8424820

SCHEMBL8424820

C=C1CCO[C@@]12CC[C@H]1[C@@H]3C=CC4=CC(=O)CC[C@@H]4[C@H]3[C@@H](c3ccc(OC)cc3)C[C@@]12C

nearest known ligand 0.55

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ PGR P06401 14/20 0.55
▸ NR3C1 P04150 15/20 0.53
▸ AR P10275 7/20 0.43
▸ NR3C2 P08235 2/20 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
SCHEMBL8408961 0.81 NR3C1 (0.57) PGRNR3C1AR
SCHEMBL8427242 0.81 PGR (0.81) PGRNR3C1ARNR3C2
SCHEMBL8427024 0.79 PGR (0.60) PGRNR3C1ARNR3C2
SCHEMBL8423485 0.76 PGR (0.73) PGRNR3C1ARNR3C2
SCHEMBL8424972 0.73 NR3C1 (0.77) PGRNR3C1AR
SCHEMBL8619892 0.73 NR3C1 (0.46) PGRNR3C1ARNR3C2
SCHEMBL8407122 0.72 PGR (0.40) PGRNR3C1ARNR3C2
SCHEMBL8410185 0.72 PGR (0.40) PGRNR3C1ARNR3C2
SCHEMBL9649843 0.72 PGR (0.38) PGRNR3C1ARNR3C2
SCHEMBL8624242 0.72 NR3C1 (0.48) PGRNR3C1AR

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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