SCHEMBL8768805

SCHEMBL8768805

COC[C@@]1(O)CC[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3[C@@H](c3ccc(C(C)=O)cc3)C[C@@]21C

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PGR P06401 10/20 0.55
▸ NR3C1 P04150 9/20 0.53
▸ AR P10275 8/20 0.53
▸ CYP3A4 P08684 4/20 0.52
▸ MAPT P10636 2/20 0.42
▸ CYP2C19 P33261 2/20 0.42
▸ ABCB11 O95342 2/20 0.42
▸ CHRM2 P08172 1/20 0.42
▸ ADORA3 P0DMS8 1/20 0.42
▸ CHRM1 P11229 1/20 0.42
▸ TBXA2R P21731 1/20 0.42
▸ SLC6A2 P23975 1/20 0.42
▸ ADRA1A P35348 1/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ LMNA P02545 2/20 0.42
▸ TSHR P16473 1/20 0.42
▸ HIF1A Q16665 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42

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
SCHEMBL8767831 0.88 PGR (0.53) PGRNR3C1ARCYP3A4MAPT
SCHEMBL8767796 0.88 PGR (0.55) PGRNR3C1ARCYP3A4MAPT
SCHEMBL9019768 0.88 PGR (0.68) PGRNR3C1ARCYP3A4
SCHEMBL8652764 0.83 PGR (0.50) PGRNR3C1ARCYP3A4CYP2C19
SCHEMBL8541047 0.83 PGR (0.48) PGRNR3C1ARCYP3A4CYP2C19
SCHEMBL8424832 0.83 PGR (0.79) PGRNR3C1ARCYP3A4CYP2C19
SCHEMBL9019810 0.83 PGR (0.65) PGRNR3C1ARCYP3A4CYP2C19
SCHEMBL8768021 0.82 PGR (0.53) PGRNR3C1ARCYP3A4MAPT
SCHEMBL8536196 0.82 PGR (0.53) PGRNR3C1ARCYP3A4MAPT
SCHEMBL2122881 0.82 AR (0.59) PGRNR3C1ARCYP3A4CYP2C19

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