SCHEMBL8427015

SCHEMBL8427015

C=C1CCO[C@@]12C=C[C@H]1[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@@]12CC

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PGR P06401 11/20 0.64
AR P10275 11/20 0.64
LMNA P02545 3/20 0.64
SLC6A4 P31645 3/20 0.64
ESR1 P03372 3/20 0.64
OPRM1 P35372 2/20 0.64
NR3C2 P08235 5/20 0.55
MEN1 O00255 2/20 0.51
CYP3A4 P08684 2/20 0.51
KMT2A Q03164 2/20 0.51
SHBG P04278 2/20 0.51
NR3C1 P04150 1/20 0.51
POLB P06746 1/20 0.51
CYP2C19 P33261 1/20 0.51
ABCB11 O95342 1/20 0.51
CYP19A1 P11511 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
SCHEMBL8423660 0.91 PGR (0.65) PGRARLMNASLC6A4ESR1
SCHEMBL8423652 0.86 PGR (0.53) PGRARLMNASLC6A4ESR1
SCHEMBL8678004 0.82 PGR (0.76) PGRARLMNASLC6A4ESR1
SCHEMBL12434544 0.81 PGR (0.74) PGRARLMNASLC6A4ESR1
SCHEMBL8426985 0.79 PGR (0.54) PGRARLMNASLC6A4ESR1
Gestodene SCHEMBL2335657 0.78 PGR (1.00) PGRARLMNASLC6A4ESR1
Gestodene SCHEMBL5031715 0.78 PGR (1.00) PGRARLMNASLC6A4ESR1
SCHEMBL8423650 0.78 PGR (0.64) PGRARLMNASLC6A4ESR1
Gestodene SCHEMBL16661464 0.78 PGR (1.00) PGRARLMNASLC6A4ESR1
Gestodene SCHEMBL1650027 0.78 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 3 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
US-5712264-A 17-spiromethylene steroids AKZO NOBEL N.V. (NL) 1998-01-27 US disclosed
EP-0582338-A2 17-Spiromethylene steroids Akzo Nobel N.V. (NL) 1994-02-09 EP disclosed