SCHEMBL8768239

SCHEMBL8768239

C[C@]12C[C@H](c3ccc(-c4ccc(C#N)cc4)cc3)[C@H]3[C@@H](CCC4=CC(=O)CC[C@@H]43)[C@@H]1C=C[C@@]2(O)CCCO

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PGR P06401 12/20 0.43
▸ NR3C1 P04150 10/20 0.43
▸ AR P10275 9/20 0.43
▸ CYP3A4 P08684 3/20 0.40
▸ LMNA P02545 3/20 0.36
▸ ESR1 P03372 2/20 0.36
▸ SLC6A4 P31645 2/20 0.36
▸ OPRM1 P35372 1/20 0.36
▸ ABCB11 O95342 2/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ SHBG P04278 2/20 0.33
▸ TSHR P16473 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ HIF1A Q16665 1/20 0.33
▸ ADRA2A P08913 1/20 0.33
▸ SLC22A1 O15245 1/20 0.32
▸ SERPINA6 P08185 1/20 0.32
▸ THRB P10828 1/20 0.32
▸ NR3C2 P08235 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
SCHEMBL8768180 1.00 PGR (0.43) PGRNR3C1ARCYP3A4LMNA
SCHEMBL8768984 1.00 PGR (0.43) PGRNR3C1ARCYP3A4LMNA
SCHEMBL8768013 0.88 PGR (0.41) PGRNR3C1ARCYP3A4LMNA
SCHEMBL8768881 0.88 PGR (0.41) PGRNR3C1ARCYP3A4LMNA
SCHEMBL8768908 0.87 NR3C1 (0.46) PGRNR3C1ARCYP3A4LMNA
SCHEMBL8767959 0.87 NR3C1 (0.46) PGRNR3C1ARCYP3A4LMNA
SCHEMBL8767741 0.86 NR3C1 (0.30) PGRNR3C1AR
SCHEMBL8768220 0.84 PGR (0.47) PGRNR3C1ARCYP3A4LMNA
SCHEMBL8768225 0.84 PGR (0.47) PGRNR3C1ARCYP3A4LMNA
SCHEMBL8767943 0.84 PGR (0.51) PGRNR3C1ARCYP3A4LMNA

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
US-5426102-A Antigestagenic, antiandrogenic, antiglucocorticoid, antimineralcorticoid properties SCHERING AKTIENGESELLSCHAFT (DE) 1995-06-20 — — US disclosed
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