SCHEMBL8767707

SCHEMBL8767707

CC(=O)c1ccc([C@H]2C[C@@]3(C)[C@@H](C=C[C@@]3(O)CC#N)[C@@H]3CCC4=COCC[C@@H]4[C@H]32)cc1

nearest known ligand 0.35

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ PGR P06401 6/20 0.35
▸ NR3C1 P04150 6/20 0.34
▸ AR P10275 5/20 0.34
▸ CYP3A4 P08684 1/20 0.31

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
SCHEMBL8769022 0.86 PGR (0.47) PGRNR3C1ARCYP3A4
SCHEMBL8767962 0.76 PGR (0.32) PGRNR3C1AR
SCHEMBL8767750 0.73 PGR (0.31) PGRNR3C1AR
SCHEMBL8768210 0.73 NR3C1 (0.32) PGRNR3C1AR
SCHEMBL8767961 0.71 PGR (0.48) PGRNR3C1ARCYP3A4
SCHEMBL8767722 0.71 PGR (0.48) PGRNR3C1ARCYP3A4
SCHEMBL8768235 0.71 PGR (0.33) PGRNR3C1AR
SCHEMBL8767815 0.70 PGR (0.49) PGRNR3C1ARCYP3A4
SCHEMBL8767965 0.69 NR3C1 (0.46) PGRNR3C1ARCYP3A4
SCHEMBL8767796 0.69 PGR (0.55) 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-0567469-B1 14beta-H-, 14- AND 15-EN-11beta-ARYL-4-ESTRENES SCHERING AG (DE) 1997-08-27 — — EP claimed
EP-0567469-B1 14beta-H-, 14- AND 15-EN-11beta-ARYL-4-ESTRENES SCHERING AG (DE) 1997-08-27 — — EP disclosed
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