SCHEMBL8769023

SCHEMBL8769023

CC(=O)O[C@]1(C(C)=O)[C@H]2C[C@H]2[C@H]2[C@@H]3C=C(C)C4=CC(=O)CC[C@@H]4[C@H]3CC[C@@]21C

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGR P06401 11/20 0.67
AR P10275 10/20 0.67
NR3C1 P04150 5/20 0.67
PDE4D Q08499 1/20 0.67
CYP3A4 P08684 6/20 0.54
LMNA P02545 5/20 0.54
CYP2C9 P11712 3/20 0.54
CYP2C19 P33261 3/20 0.54
SMN1; SMN2 Q16637 4/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
ABCB11 O95342 3/20 0.44
MAPK1 P28482 3/20 0.44
NPSR1 Q6W5P4 3/20 0.44
HIF1A Q16665 2/20 0.44
POLB P06746 1/20 0.44
TDP1 Q9NUW8 1/20 0.41
CHRM1 P11229 4/20 0.41
CHRM2 P08172 3/20 0.41
MAPT P10636 2/20 0.41

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
SCHEMBL8769794 0.81 PGR (0.48) PGRARNR3C1PDE4DCYP3A4
SCHEMBL8769119 0.81 PGR (0.72) PGRARNR3C1PDE4DCYP3A4
Nomegestrol Acetate SCHEMBL8817628 0.80 PGR (1.00) PGRARNR3C1PDE4DCYP3A4
Nomegestrol Acetate SCHEMBL19760877 0.80 PGR (1.00) PGRARNR3C1PDE4DCYP3A4
Nomegestrol Acetate SCHEMBL37517 0.80 PGR (1.00) PGRARNR3C1PDE4DCYP3A4
SCHEMBL8769771 0.79 PGR (0.59) PGRARNR3C1CYP3A4LMNA
SCHEMBL8769481 0.79 PGR (0.48) PGRARNR3C1PDE4DCYP3A4
SCHEMBL8769113 0.77 PGR (0.48) PGRARNR3C1PDE4DCYP3A4
Nomegestrol SCHEMBL19760878 0.75 LMNA (0.80) PGRARNR3C1PDE4DCYP3A4
Nomegestrol SCHEMBL139763 0.75 LMNA (0.80) PGRARNR3C1PDE4DCYP3A4

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