SCHEMBL8423652

SCHEMBL8423652

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

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGR P06401 7/20 0.53
AR P10275 6/20 0.53
NR3C2 P08235 2/20 0.53
LMNA P02545 3/20 0.50
ESR1 P03372 2/20 0.50
SLC6A4 P31645 2/20 0.50
OPRM1 P35372 1/20 0.50
CYP3A4 P08684 2/20 0.49
ABCB11 O95342 2/20 0.49
ALDH1A1 P00352 2/20 0.49
SHBG P04278 2/20 0.49
CYP2C19 P33261 2/20 0.49
NR3C1 P04150 2/20 0.49
TSHR P16473 1/20 0.49
HIF1A Q16665 1/20 0.49
ADRA2A P08913 1/20 0.49
CYP19A1 P11511 2/20 0.48
SERPINA6 P08185 2/20 0.46
SLC22A1 O15245 1/20 0.46
THRB P10828 1/20 0.46

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
SCHEMBL8426985 0.90 PGR (0.54) PGRARNR3C2LMNAESR1
SCHEMBL8427015 0.86 PGR (0.64) PGRARNR3C2LMNAESR1
SCHEMBL8427312 0.85 PGR (0.44) PGRARNR3C2LMNAESR1
SCHEMBL9541199 0.82 PGR (0.58) PGRARNR3C2LMNAESR1
SCHEMBL8426988 0.79 PGR (0.41) PGRARNR3C2LMNAESR1
SCHEMBL8426914 0.79 PGR (0.55) PGRARNR3C2LMNACYP3A4
SCHEMBL8423660 0.78 PGR (0.65) PGRARNR3C2LMNAESR1
SCHEMBL8423021 0.77 PGR (0.62) PGRARNR3C2LMNAESR1
SCHEMBL9007371 0.75 PGR (0.56) PGRARNR3C2LMNAESR1
SCHEMBL9007368 0.75 PGR (0.56) PGRARNR3C2LMNAESR1

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