Sugi Predict

Sugi Predict / Compounds / SCHEMBL8409808

SCHEMBL8409808

SCHEMBL8409808

C[C@@H]1C[C@@H]2[C@H]([C@@H](c3ccc(-c4cncnc4)cc3)C[C@@]3(C)[C@H]2CC[C@@]3(O)/C=C\CO)[C@H]2CCC(=O)C=C12

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ PGR P06401 14/20 0.36
▸ NR3C1 P04150 9/20 0.36
▸ AR P10275 7/20 0.36
▸ CYP3A4 P08684 1/20 0.34
▸ CYP17A1 P05093 2/20 0.32

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
SCHEMBL8407038 1.00 PGR (0.36) PGRNR3C1ARCYP3A4CYP17A1
SCHEMBL8407055 0.93 PGR (0.42) PGRNR3C1ARCYP3A4CYP17A1
SCHEMBL8407082 0.93 PGR (0.42) PGRNR3C1ARCYP3A4CYP17A1
SCHEMBL8410097 0.88 PGR (0.37) PGRNR3C1ARCYP3A4
SCHEMBL8409853 0.88 PGR (0.36) PGRNR3C1ARCYP3A4
SCHEMBL8407400 0.88 PGR (0.36) PGRNR3C1ARCYP3A4
SCHEMBL8410075 0.88 PGR (0.37) PGRNR3C1ARCYP3A4
SCHEMBL8539945 0.87 PGR (0.48) PGRNR3C1ARCYP3A4
SCHEMBL8407121 0.86 PGR (0.39) PGRNR3C1ARCYP3A4
SCHEMBL8409944 0.86 PGR (0.39) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0565553-B1 6,7-MODIFIED 11$g(b)-ARYL-4-ESTRENES SCHERING AG (DE) 1999-07-21 — — EP claimed
EP-0565553-B1 6,7-MODIFIED 11$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
Send feedback