SCHEMBL7200584

SCHEMBL7200584

C[C@]12C[C@H](c3ccc(-c4ccc(C#N)cc4)cc3)C3C4CCOC=C4CCC3C1CC[C@@]2(O)/C=C\CO

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ PGR P06401 8/20 0.37
▸ NR3C1 P04150 10/20 0.36
▸ AR P10275 7/20 0.36
▸ CYP3A4 P08684 1/20 0.34
▸ ESR1 P03372 3/20 0.31
▸ ESR2 Q92731 2/20 0.30
▸ NR3C2 P08235 1/20 0.30

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
SCHEMBL7199636 0.86 PGR (0.34) PGRNR3C1ARCYP3A4
SCHEMBL8536675 0.86 PGR (0.50) PGRNR3C1ARCYP3A4ESR1
SCHEMBL7200581 0.86 PGR (0.50) PGRNR3C1ARCYP3A4ESR1
SCHEMBL9019818 0.86 PGR (0.50) PGRNR3C1ARCYP3A4ESR1
SCHEMBL8768221 0.86 PGR (0.50) PGRNR3C1ARCYP3A4ESR1
SCHEMBL7197531 0.84 NR3C1 (0.34) PGRNR3C1ARCYP3A4
SCHEMBL8653821 0.82 PGR (0.47) PGRNR3C1ARCYP3A4ESR1
SCHEMBL7198823 0.82 NR3C1 (0.34) PGRNR3C1ARCYP3A4
SCHEMBL8767962 0.77 PGR (0.32) PGRNR3C1AR
SCHEMBL8767741 0.75 NR3C1 (0.30) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6596713-B1 Antigestagenic, antiglucocorticoidal, antimineralcorticoidal or antiandrogenic effect SCHERING AKTIENGESELLSCHAFT (DE) 2003-07-22 — — US disclosed
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