SCHEMBL8409400

SCHEMBL8409400

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=C12

nearest known ligand 0.44

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ PGR P06401 17/20 0.44
▸ NR3C1 P04150 13/20 0.44
▸ AR P10275 10/20 0.44
▸ CYP3A4 P08684 1/20 0.42
▸ CYP17A1 P05093 1/20 0.39

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
SCHEMBL8407056 0.84 NR3C1 (0.48) PGRNR3C1ARCYP3A4
SCHEMBL8407082 0.84 PGR (0.42) PGRNR3C1ARCYP3A4CYP17A1
SCHEMBL8407055 0.84 PGR (0.42) PGRNR3C1ARCYP3A4CYP17A1
SCHEMBL8618594 0.82 PGR (0.38) PGRNR3C1ARCYP3A4
SCHEMBL9019827 0.80 NR3C1 (0.59) PGRNR3C1ARCYP3A4
SCHEMBL8623060 0.78 CYP17A1 (0.32) PGRNR3C1ARCYP17A1
SCHEMBL8409808 0.77 PGR (0.36) PGRNR3C1ARCYP3A4CYP17A1
SCHEMBL8407038 0.77 PGR (0.36) PGRNR3C1ARCYP3A4CYP17A1
SCHEMBL8536387 0.73 PGR (0.51) PGRNR3C1ARCYP3A4
SCHEMBL8768109 0.73 PGR (0.47) 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 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
Send feedback