SCHEMBL8410185

SCHEMBL8410185

CC(=O)c1ccc([C@H]2C[C@@]3(C)[C@@H](CC[C@@]3(O)CC#N)[C@@H]3C=CC4=CC(=O)CC[C@@H]4[C@H]32)cc1

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ PGR P06401 13/20 0.40
▸ AR P10275 11/20 0.40
▸ NR3C2 P08235 3/20 0.40
▸ NR3C1 P04150 12/20 0.37
▸ CYP19A1 P11511 1/20 0.36
▸ TDP1 Q9NUW8 2/20 0.35
▸ LMNA P02545 1/20 0.35
▸ PDE4D Q08499 1/20 0.35
▸ CYP3A4 P08684 1/20 0.34

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
SCHEMBL8407122 0.91 PGR (0.40) PGRARNR3C2NR3C1CYP19A1
SCHEMBL8407111 0.86 NR3C1 (0.38) PGRARNR3C2NR3C1TDP1
SCHEMBL8409910 0.86 PGR (0.37) PGRARNR3C2NR3C1TDP1
SCHEMBL8619892 0.84 NR3C1 (0.46) PGRARNR3C2NR3C1TDP1
SCHEMBL8409857 0.84 NR3C1 (0.38) PGRARNR3C2NR3C1CYP3A4
SCHEMBL8767796 0.83 PGR (0.55) PGRARNR3C1LMNACYP3A4
SCHEMBL8407061 0.80 PGR (0.37) PGRARNR3C2NR3C1LMNA
SCHEMBL9649843 0.75 PGR (0.38) PGRARNR3C2NR3C1TDP1
SCHEMBL8407237 0.75 NR3C1 (0.54) PGRARNR3C2NR3C1TDP1
SCHEMBL8622523 0.74 NR3C1 (0.59) PGRARNR3C2NR3C1TDP1

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-0565553-B1 6,7-MODIFIED 11$g(b)-ARYL-4-ESTRENES SCHERING AG (DE) 1999-07-21 — — EP disclosed
US-5843931-A 6,7-modified 11β-aryl-4-oestrenes SHERING AKTIENGESELLSCHAFT (DE) 1998-12-01 — — US disclosed
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