SCHEMBL8407056

SCHEMBL8407056

CC#C[C@]1(O)CC[C@H]2[C@@H]3C[C@@H](C)C4=CC(=O)CC[C@@H]4[C@H]3[C@@H](c3ccc(-c4cncnc4)cc3)C[C@@]21C

nearest known ligand 0.48

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ NR3C1 P04150 19/20 0.48
▸ PGR P06401 14/20 0.47
▸ AR P10275 12/20 0.47
▸ CYP2C8 P10632 1/20 0.46
▸ CYP3A4 P08684 1/20 0.44

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
SCHEMBL9019852 0.87 NR3C1 (0.62) NR3C1PGRARCYP2C8CYP3A4
SCHEMBL8409400 0.84 PGR (0.44) NR3C1PGRARCYP3A4
SCHEMBL8409808 0.83 PGR (0.36) NR3C1PGRARCYP3A4
SCHEMBL8407038 0.83 PGR (0.36) NR3C1PGRARCYP3A4
SCHEMBL8620050 0.81 NR3C1 (0.47) NR3C1PGRARCYP2C8CYP3A4
SCHEMBL9019827 0.80 NR3C1 (0.59) NR3C1PGRARCYP2C8CYP3A4
SCHEMBL8621595 0.79 NR3C1 (0.60) NR3C1PGRARCYP2C8CYP3A4
SCHEMBL8624310 0.77 NR3C1 (0.62) NR3C1PGRARCYP2C8CYP3A4
SCHEMBL8407082 0.76 PGR (0.42) NR3C1PGRARCYP3A4
SCHEMBL8407055 0.76 PGR (0.42) NR3C1PGRARCYP3A4

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 claimed
US-5843931-A 6,7-modified 11β-aryl-4-oestrenes SHERING AKTIENGESELLSCHAFT (DE) 1998-12-01 — — US disclosed
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