SCHEMBL8769755

SCHEMBL8769755

CC(=O)O[C@]1(C(C)=O)[C@H]2C[C@H]2[C@H]2[C@H]3[C@H](CC[C@@]21C)[C@H]1CCC(=O)CC1=C(C)[C@H]3C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGR P06401 11/20 0.36
AR P10275 10/20 0.36
NR3C1 P04150 4/20 0.36
PDE4D Q08499 1/20 0.36
CYP3A4 P08684 4/20 0.32
LMNA P02545 3/20 0.32
ABCB11 O95342 3/20 0.32
CHRM2 P08172 2/20 0.32
CHRM1 P11229 2/20 0.32
NPSR1 Q6W5P4 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
ABCC4 O15439 1/20 0.32
ALDH1A1 P00352 1/20 0.32
ESR1 P03372 1/20 0.32
SHBG P04278 1/20 0.32
NR3C2 P08235 1/20 0.32
HRH2 P25021 1/20 0.32
AKR1C3 P42330 1/20 0.32
AKR1C2 P52895 1/20 0.32
AKR1C1 Q04828 1/20 0.32

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
SCHEMBL8769525 0.80 PGR (0.50) PGRARNR3C1PDE4DCYP3A4
SCHEMBL8769481 0.77 PGR (0.48) PGRARNR3C1PDE4DCYP3A4
SCHEMBL8769023 0.70 PGR (0.67) PGRARNR3C1PDE4DCYP3A4
SCHEMBL8769113 0.70 PGR (0.48) PGRARNR3C1PDE4DCYP3A4
SCHEMBL8769771 0.69 PGR (0.59) PGRARNR3C1CYP3A4LMNA
SCHEMBL8769794 0.67 PGR (0.48) PGRARNR3C1PDE4DCYP3A4
SCHEMBL8769791 0.63 SRD5A2 (0.37) PGRARNR3C1PDE4DCYP3A4
SCHEMBL8769104 0.61 PGR (0.33) PGRARNR3C1PDE4DCYP3A4
SCHEMBL8769455 0.60 PGR (0.49) PGRARNR3C1CYP3A4LMNA
SCHEMBL8769792 0.58 PGR (0.61) 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