SCHEMBL8769016

SCHEMBL8769016

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

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 6/20 0.60
PGR P06401 6/20 0.60
LMNA P02545 5/20 0.60
CYP3A4 P08684 5/20 0.60
AR P10275 4/20 0.60
SMN1; SMN2 Q16637 4/20 0.60
ALDH1A1 P00352 3/20 0.60
NPSR1 Q6W5P4 3/20 0.60
ABCB11 O95342 2/20 0.60
CHRM2 P08172 2/20 0.60
CHRM1 P11229 2/20 0.60
ABCC4 O15439 1/20 0.60
ESR1 P03372 1/20 0.60
SHBG P04278 1/20 0.60
NR3C2 P08235 1/20 0.60
HRH2 P25021 1/20 0.60
AKR1C3 P42330 1/20 0.60
AKR1C2 P52895 1/20 0.60
AKR1C1 Q04828 1/20 0.60
ESR2 Q92731 1/20 0.60

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
SCHEMBL8769069 1.00 NR3C1 (0.60) NR3C1PGRLMNACYP3A4AR
SCHEMBL8769006 0.80 PGR (0.42) NR3C1PGRLMNACYP3A4AR
SCHEMBL8769814 0.80 PGR (0.42) NR3C1PGRLMNACYP3A4AR
SCHEMBL13525383 0.79 LMNA (0.77) NR3C1PGRLMNACYP3A4AR
Medroxyprogesterone Acetate SCHEMBL6835475 0.75 NR3C1 (1.00) NR3C1PGRLMNACYP3A4AR
Medroxyprogesterone Acetate SCHEMBL6563018 0.75 NR3C1 (1.00) NR3C1PGRLMNACYP3A4AR
Medroxyprogesterone Acetate SCHEMBL4276 0.75 NR3C1 (1.00) NR3C1PGRLMNACYP3A4AR
Medroxyprogesterone Acetate SCHEMBL22761990 0.75 NR3C1 (1.00) NR3C1PGRLMNACYP3A4AR
Medroxyprogesterone Acetate SCHEMBL3892232 0.75 NR3C1 (1.00) NR3C1PGRLMNACYP3A4AR
Medroxyprogesterone Acetate SCHEMBL10080145 0.75 NR3C1 (1.00) NR3C1PGRLMNACYP3A4AR

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