SCHEMBL8769119

SCHEMBL8769119

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

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGR P06401 7/20 0.72
AR P10275 7/20 0.72
NR3C1 P04150 6/20 0.72
PDE4D Q08499 1/20 0.72
CYP3A4 P08684 7/20 0.51
LMNA P02545 5/20 0.51
CYP2C9 P11712 4/20 0.51
CYP2C19 P33261 3/20 0.51
SMN1; SMN2 Q16637 4/20 0.48
NPSR1 Q6W5P4 3/20 0.48
ABCB11 O95342 3/20 0.48
MAPK1 P28482 3/20 0.48
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
HIF1A Q16665 2/20 0.48
POLB P06746 1/20 0.48
CHRM1 P11229 4/20 0.43
CHRM2 P08172 3/20 0.43
ALDH1A1 P00352 2/20 0.43
USP2 O75604 2/20 0.43

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
Nomegestrol Acetate SCHEMBL37517 0.84 PGR (1.00) PGRARNR3C1PDE4DCYP3A4
Nomegestrol Acetate SCHEMBL19760877 0.84 PGR (1.00) PGRARNR3C1PDE4DCYP3A4
Nomegestrol Acetate SCHEMBL8817628 0.84 PGR (1.00) PGRARNR3C1PDE4DCYP3A4
SCHEMBL8769115 0.81 PGR (0.52) PGRARNR3C1PDE4DCYP3A4
SCHEMBL8769023 0.81 PGR (0.67) PGRARNR3C1PDE4DCYP3A4
SCHEMBL8769149 0.79 PGR (0.63) PGRARNR3C1PDE4DCYP3A4
SCHEMBL8769769 0.77 PGR (0.51) PGRARNR3C1PDE4DCYP3A4
SCHEMBL8769005 0.77 PGR (0.51) PGRARNR3C1PDE4DCYP3A4
SCHEMBL28501809 0.74 PGR (0.81) PGRARNR3C1PDE4DCYP3A4
SCHEMBL8626100 0.74 PGR (0.81) 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