SCHEMBL8638232

SCHEMBL8638232

C=C[C@]1(O)CC[C@@H]2[C@@H]3CCc4cc(O[Si](C)(C)CCCC)ccc4[C@H]3CC[C@@]21C

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
STS P08842 12/20 0.51
ESR1 P03372 5/20 0.51
ESR2 Q92731 2/20 0.51
NR3C1 P04150 4/20 0.49
LMNA P02545 3/20 0.49
PGR P06401 2/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2C19 P33261 1/20 0.49
HIF1A Q16665 1/20 0.49
CNR1 P21554 1/20 0.49
SLC6A2 P23975 1/20 0.49
SLC6A4 P31645 1/20 0.49
SLC6A3 Q01959 1/20 0.49
GAA P10253 1/20 0.47
MAPT P10636 1/20 0.47
MAPK1 P28482 1/20 0.47
NR3C2 P08235 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
SCHEMBL1657345 0.84 ESR1 (0.53) STSESR1ESR2NR3C1LMNA
SCHEMBL2401211 0.83 ESR1 (0.53) STSESR1ESR2NR3C1LMNA
SCHEMBL4645148 0.80 ESR1 (0.63) STSESR1ESR2NR3C1LMNA
SCHEMBL1656677 0.80 ESR1 (0.63) STSESR1ESR2NR3C1LMNA
SCHEMBL8151660 0.79 ESR1 (0.52) STSESR1ESR2NR3C1LMNA
SCHEMBL11688794 0.79 ESR1 (0.70) STSESR1ESR2NR3C1LMNA
SCHEMBL4572560 0.79 STS (0.73) STSESR1ESR2NR3C1PGR
SCHEMBL7166132 0.79 STS (0.73) STSESR1ESR2NR3C1PGR
SCHEMBL1656550 0.79 STS (0.73) STSESR1ESR2NR3C1PGR
SCHEMBL8151691 0.78 ESR1 (0.53) STSESR1ESR2NR3C1LMNA

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1998032763-A1 STEROID INHIBITORS OF ESTRONE SULFATASE, AND ASSOCIATED PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE SRI INTERNATIONAL (US) 1998-07-30 WO disclosed