SCHEMBL8769771

SCHEMBL8769771

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

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGR P06401 6/20 0.59
AR P10275 4/20 0.59
ABCB11 O95342 3/20 0.59
CYP3A4 P08684 3/20 0.59
MAPT P10636 2/20 0.59
NR3C1 P04150 2/20 0.59
CYP2C19 P33261 2/20 0.59
CHRM2 P08172 1/20 0.59
ADORA3 P0DMS8 1/20 0.59
CHRM1 P11229 1/20 0.59
TBXA2R P21731 1/20 0.59
SLC6A2 P23975 1/20 0.59
ADRA1A P35348 1/20 0.59
MEN1 O00255 1/20 0.59
MAPK1 P28482 1/20 0.59
KMT2A Q03164 1/20 0.59
SERPINA6 P08185 2/20 0.51
LMNA P02545 2/20 0.49
ALDH1A1 P00352 2/20 0.49
SHBG P04278 2/20 0.49

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
SCHEMBL8769113 0.84 PGR (0.48) PGRARABCB11CYP3A4MAPT
SCHEMBL11861814 0.83 PGR (0.66) PGRARABCB11CYP3A4MAPT
SCHEMBL8769834 0.83 PGR (0.63) PGRARABCB11CYP3A4MAPT
SCHEMBL8769794 0.83 PGR (0.48) PGRARABCB11CYP3A4MAPT
SCHEMBL8769149 0.80 PGR (0.63) PGRARABCB11CYP3A4MAPT
SCHEMBL8769481 0.80 PGR (0.48) PGRARABCB11CYP3A4MAPT
SCHEMBL8769023 0.79 PGR (0.67) PGRARABCB11CYP3A4MAPT
SCHEMBL25334510 0.78 PGR (0.72) PGRARABCB11CYP3A4MAPT
SCHEMBL22400061 0.78 PGR (0.72) PGRARABCB11CYP3A4MAPT
SCHEMBL10951986 0.78 PGR (0.72) PGRARABCB11CYP3A4MAPT

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