SCHEMBL8423660

SCHEMBL8423660

CC[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@H]43)[C@@H]1C=C[C@@]21OCCC1=O

nearest known ligand 0.65

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PGR P06401 10/20 0.65
AR P10275 10/20 0.65
LMNA P02545 4/20 0.65
SLC6A4 P31645 3/20 0.65
ESR1 P03372 2/20 0.65
OPRM1 P35372 1/20 0.65
NR3C2 P08235 5/20 0.56
CYP3A4 P08684 3/20 0.52
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
CYP2C19 P33261 2/20 0.52
NR3C1 P04150 1/20 0.52
SHBG P04278 1/20 0.52
POLB P06746 1/20 0.52
ABCB11 O95342 1/20 0.52
CYP19A1 P11511 2/20 0.46
TSHR P16473 1/20 0.42
HIF1A Q16665 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
SCHEMBL8427015 0.91 PGR (0.64) PGRARLMNASLC6A4ESR1
SCHEMBL8426985 0.85 PGR (0.54) PGRARLMNASLC6A4ESR1
SCHEMBL8678004 0.83 PGR (0.76) PGRARLMNASLC6A4ESR1
SCHEMBL12434544 0.82 PGR (0.74) PGRARLMNASLC6A4ESR1
Gestodene SCHEMBL2335657 0.79 PGR (1.00) PGRARLMNASLC6A4ESR1
Gestodene SCHEMBL5031715 0.79 PGR (1.00) PGRARLMNASLC6A4ESR1
Gestodene SCHEMBL15263394 0.79 PGR (1.00) PGRARLMNASLC6A4ESR1
Gestodene SCHEMBL16661464 0.79 PGR (1.00) PGRARLMNASLC6A4ESR1
Gestodene SCHEMBL1650027 0.79 PGR (1.00) PGRARLMNASLC6A4ESR1
Gestodene SCHEMBL14983004 0.79 PGR (1.00) PGRARLMNASLC6A4ESR1

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
EP-0582338-B1 17-Spiromethylene steroids AKZO NOBEL NV (NL) 1999-10-20 EP disclosed
EP-0582338-A2 17-Spiromethylene steroids Akzo Nobel N.V. (NL) 1994-02-09 EP disclosed