SCHEMBL8409143

SCHEMBL8409143

C[C@]12C[C@H](c3ccc(O)cc3)[C@H]3[C@@H](C[C@@H](Br)C4=CC(=O)CC[C@@H]43)[C@@H]1CC[C@@]2(O)CC#N

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PGR P06401 15/20 0.42
▸ NR3C1 P04150 14/20 0.42
▸ AR P10275 11/20 0.42
▸ CYP3A4 P08684 3/20 0.39
▸ CYP2C8 P10632 1/20 0.35
▸ LMNA P02545 2/20 0.35
▸ ABCB11 O95342 2/20 0.35
▸ TSHR P16473 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ HIF1A Q16665 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ ESR1 P03372 1/20 0.35
▸ SHBG P04278 1/20 0.35
▸ ADRA2A P08913 1/20 0.35
▸ SLC6A4 P31645 1/20 0.35
▸ CYP19A1 P11511 1/20 0.34
▸ NR3C2 P08235 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 0.79 PGR (0.40) PGRNR3C1ARCYP3A4LMNA
SCHEMBL9019878 0.77 NR3C1 (0.69) PGRNR3C1ARCYP3A4CYP2C8
SCHEMBL8624310 0.76 NR3C1 (0.62) PGRNR3C1ARCYP3A4CYP2C8
SCHEMBL8621595 0.76 NR3C1 (0.60) PGRNR3C1ARCYP3A4CYP2C8
SCHEMBL8767796 0.76 PGR (0.55) PGRNR3C1ARCYP3A4LMNA
SCHEMBL8410403 0.73 NR3C1 (0.35) PGRNR3C1ARCYP3A4ABCB11
SCHEMBL8536118 0.72 PGR (0.51) PGRNR3C1ARCYP3A4LMNA
SCHEMBL8536387 0.72 PGR (0.51) PGRNR3C1ARCYP3A4LMNA
SCHEMBL8619912 0.72 NR3C1 (0.49) PGRNR3C1ARCYP3A4CYP2C8
SCHEMBL8618683 0.71 NR3C1 (0.50) PGRNR3C1ARCYP3A4CYP2C8

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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