SCHEMBL20959664

SCHEMBL20959664

COC(=O)[C@@]1(C)CCC2C3CCC4=CC(=O)CCC4=C3CCC21C

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGR P06401 10/20 0.75
NR3C1 P04150 9/20 0.60
AR P10275 4/20 0.60
NR3C2 P08235 1/20 0.45
ESR1 P03372 2/20 0.43
THRA P10827 1/20 0.43
ESR2 Q92731 1/20 0.43
OPRM1 P35372 1/20 0.43
MEN1 O00255 1/20 0.42
TP53 P04637 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
ALOX15 P16050 1/20 0.42
NFKB1 P19838 1/20 0.42
MAPK1 P28482 1/20 0.42
CYP2C19 P33261 1/20 0.42
THPO P40225 1/20 0.42
KMT2A Q03164 1/20 0.42
TDP1 Q9NUW8 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
Demegestone SCHEMBL6851326 0.89 PGR (0.78) PGRNR3C1ARNR3C2ESR1
Demegestone SCHEMBL1649297 0.89 PGR (0.78) PGRNR3C1ARNR3C2ESR1
Demegestone SCHEMBL146550 0.89 PGR (0.78) PGRNR3C1ARNR3C2ESR1
Demegestone SCHEMBL28338894 0.87 PGR (0.75) PGRNR3C1ARNR3C2ESR1
SCHEMBL19286040 0.86 PGR (0.74) PGRNR3C1ARNR3C2ESR1
Promegestone SCHEMBL37770 0.86 PGR (1.00) PGRNR3C1ARNR3C2ESR1
SCHEMBL21231223 0.85 PGR (0.70) PGRNR3C1ARNR3C2ESR1
SCHEMBL13875044 0.85 PGR (0.70) PGRNR3C1ARNR3C2ESR1
Trimegestone SCHEMBL17906556 0.85 PGR (0.72) PGRNR3C1ARNR3C2ESR1
Trimegestone SCHEMBL13752884 0.85 PGR (0.72) PGRNR3C1ARNR3C2ESR1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2632471-B1 TRIMEGESTONE (TMG) FOR TREATMENT OF PRETERM BIRTH DIGNITY HEALTH (US) 2019-05-01 EP disclosed