SCHEMBL8768876

SCHEMBL8768876

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

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PGR P06401 16/20 0.61
▸ NR3C1 P04150 16/20 0.61
▸ AR P10275 12/20 0.61
▸ CYP3A4 P08684 4/20 0.51
▸ CYP2C8 P10632 2/20 0.42
▸ CYP2D6 P10635 3/20 0.38
▸ CYP2C19 P33261 3/20 0.38
▸ CYP2C9 P11712 3/20 0.38
▸ CYP1A2 P05177 2/20 0.38
▸ MAPK1 P28482 2/20 0.38
▸ TDP1 Q9NUW8 2/20 0.38
▸ LMNA P02545 2/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ TP53 P04637 1/20 0.38
▸ ALOX15 P16050 1/20 0.38
▸ NFKB1 P19838 1/20 0.38
▸ THPO P40225 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ NR1I2 O75469 1/20 0.38
▸ GMNN O75496 1/20 0.38

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
SCHEMBL8767749 0.89 NR3C1 (0.49) PGRNR3C1ARCYP3A4CYP2C19
SCHEMBL8767722 0.87 PGR (0.48) PGRNR3C1ARCYP3A4CYP2C19
SCHEMBL8767961 0.87 PGR (0.48) PGRNR3C1ARCYP3A4CYP2C19
SCHEMBL8768257 0.84 PGR (0.46) PGRNR3C1ARCYP3A4CYP2C19
SCHEMBL8768908 0.84 NR3C1 (0.46) PGRNR3C1ARCYP3A4CYP2C19
SCHEMBL8767959 0.84 NR3C1 (0.46) PGRNR3C1ARCYP3A4CYP2C19
SCHEMBL8767958 0.82 NR3C1 (0.42) PGRNR3C1ARCYP3A4LMNA
SCHEMBL9019768 0.78 PGR (0.68) PGRNR3C1ARCYP3A4CYP2C8
SCHEMBL9019846 0.78 NR3C1 (0.83) PGRNR3C1ARCYP3A4CYP2C8
SCHEMBL18306390 0.77 PGR (0.60) PGRNR3C1ARCYP3A4CYP2C8

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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