SCHEMBL8618594

SCHEMBL8618594

C[C@@H]1C[C@@H]2[C@H]([C@@H](c3ccc(-c4cccnc4)cc3)C[C@@]3(C)[C@H]2CC[C@@]3(O)C#CCO)[C@H]2CCC(=O)C[C@]12O

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ PGR P06401 17/20 0.38
▸ NR3C1 P04150 13/20 0.38
▸ AR P10275 10/20 0.38
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2C8 P10632 1/20 0.33
▸ CYP1B1 Q16678 1/20 0.33

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
SCHEMBL8623060 0.85 CYP17A1 (0.32) PGRNR3C1AR
SCHEMBL8621140 0.85 NR3C1 (0.41) PGRNR3C1ARCYP3A4CYP2C8
SCHEMBL8409732 0.84 PGR (0.35) PGRCYP1B1
SCHEMBL8409400 0.82 PGR (0.44) PGRNR3C1ARCYP3A4
SCHEMBL8409402 0.71 CYP1B1 (0.42) PGRARCYP1B1
SCHEMBL9019827 0.71 NR3C1 (0.59) PGRNR3C1ARCYP3A4CYP2C8
SCHEMBL8562427 0.68 AR (0.32) PGRNR3C1AR
SCHEMBL8427264 0.67 PGR (0.49) PGRNR3C1ARCYP3A4
SCHEMBL8407055 0.67 PGR (0.42) PGRNR3C1ARCYP3A4
SCHEMBL8407082 0.67 PGR (0.42) PGRNR3C1ARCYP3A4

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