SCHEMBL8423650

SCHEMBL8423650

C=C1CCO[C@@]12CC[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 19)

geneUniProtsupporting neighboursconfidence
PGR P06401 7/20 0.64
AR P10275 6/20 0.64
NR3C2 P08235 2/20 0.64
LMNA P02545 5/20 0.63
CYP3A4 P08684 4/20 0.63
SLC6A4 P31645 3/20 0.63
ESR1 P03372 3/20 0.63
MEN1 O00255 2/20 0.63
KMT2A Q03164 2/20 0.63
SHBG P04278 2/20 0.63
CYP2C19 P33261 2/20 0.63
ABCB11 O95342 2/20 0.63
NR3C1 P04150 1/20 0.63
POLB P06746 1/20 0.63
OPRM1 P35372 2/20 0.51
CYP19A1 P11511 2/20 0.49
TSHR P16473 1/20 0.48
HIF1A Q16665 1/20 0.48
ALDH1A1 P00352 1/20 0.48

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
SCHEMBL8425180 0.94 PGR (0.62) PGRARNR3C2LMNACYP3A4
SCHEMBL8426842 0.91 PGR (0.66) PGRARNR3C2LMNACYP3A4
SCHEMBL8423069 0.85 PGR (0.68) PGRARNR3C2LMNACYP3A4
SCHEMBL8423021 0.84 PGR (0.62) PGRARNR3C2LMNACYP3A4
SCHEMBL13062191 0.82 PGR (0.66) PGRARNR3C2LMNACYP3A4
Norbolethone SCHEMBL16755266 0.81 PGR (0.73) PGRARNR3C2LMNACYP3A4
Norbolethone SCHEMBL548124 0.81 PGR (0.73) PGRARNR3C2LMNACYP3A4
SCHEMBL11861988 0.81 PGR (0.73) PGRARNR3C2LMNACYP3A4
Norbolethone SCHEMBL6716010 0.81 PGR (0.73) PGRARNR3C2LMNACYP3A4
Norbolethone SCHEMBL7793965 0.81 PGR (0.73) PGRARNR3C2LMNACYP3A4

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 4 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-5854235-A 17-spiromethylene steroids AKZO NOBEL N.V. (NL) 1998-12-29 US 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