SCHEMBL8769149

SCHEMBL8769149

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

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGR P06401 7/20 0.63
AR P10275 5/20 0.56
NR3C1 P04150 3/20 0.56
ABCB11 O95342 3/20 0.56
CYP3A4 P08684 3/20 0.56
MAPT P10636 2/20 0.56
CYP2C19 P33261 2/20 0.56
CHRM2 P08172 1/20 0.56
ADORA3 P0DMS8 1/20 0.56
CHRM1 P11229 1/20 0.56
TBXA2R P21731 1/20 0.56
SLC6A2 P23975 1/20 0.56
ADRA1A P35348 1/20 0.56
MEN1 O00255 1/20 0.56
MAPK1 P28482 1/20 0.56
KMT2A Q03164 1/20 0.56
PDE4D Q08499 1/20 0.48
SERPINA6 P08185 2/20 0.48
LMNA P02545 2/20 0.47
ALDH1A1 P00352 2/20 0.47

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
SCHEMBL8769005 0.84 PGR (0.51) PGRARNR3C1ABCB11CYP3A4
SCHEMBL8769769 0.84 PGR (0.51) PGRARNR3C1ABCB11CYP3A4
SCHEMBL8769763 0.83 SERPINA6 (0.54) PGRARNR3C1ABCB11CYP3A4
SCHEMBL8769115 0.83 PGR (0.52) PGRARNR3C1ABCB11CYP3A4
SCHEMBL25334510 0.82 PGR (0.72) PGRARNR3C1ABCB11CYP3A4
SCHEMBL22400061 0.82 PGR (0.72) PGRARNR3C1ABCB11CYP3A4
SCHEMBL29403102 0.82 PGR (0.72) PGRARNR3C1ABCB11CYP3A4
SCHEMBL10951986 0.82 PGR (0.72) PGRARNR3C1ABCB11CYP3A4
SCHEMBL10954178 0.82 PGR (0.72) PGRARNR3C1ABCB11CYP3A4
SCHEMBL8769771 0.80 PGR (0.59) PGRARNR3C1ABCB11CYP3A4

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
WO-1997027209-A1 NEW SUBSTITUTED 19-NOR-PREGNANE DERIVATIVES LABORATOIRE THERAMEX (MC) 1997-07-31 WO disclosed
EP-0785211-A1 New substituted 19-nor-pregnane derivatives LABORATOIRE THERAMEX (MC) 1997-07-23 EP disclosed