SCHEMBL6256154

SCHEMBL6256154

C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@H]1C[C@H](O)C2

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SHBG P04278 5/20 0.68
ESR1 P03372 9/20 0.65
ESR2 Q92731 8/20 0.65
LMNA P02545 4/20 0.65
PGR P06401 4/20 0.65
AR P10275 4/20 0.65
SLC6A4 P31645 4/20 0.65
SLC6A3 Q01959 4/20 0.65
HIF1A Q16665 3/20 0.65
SERPINA6 P08185 3/20 0.65
SNCA P37840 3/20 0.65
NR3C1 P04150 3/20 0.65
CYP2C9 P11712 2/20 0.65
CYP2C19 P33261 2/20 0.65
PTGS1 P23219 1/20 0.65
OR51E2 Q9H255 1/20 0.65
UGT1A10 Q9HAW8 1/20 0.65
HSD17B10 Q99714 4/20 0.63
STS P08842 4/20 0.63
CYP3A4 P08684 3/20 0.63

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
SCHEMBL5680184 1.00 SHBG (0.68) SHBGESR1ESR2LMNAPGR
SCHEMBL5681898 1.00 SHBG (0.68) SHBGESR1ESR2LMNAPGR
SCHEMBL6258554 1.00 SHBG (0.68) SHBGESR1ESR2LMNAPGR
SCHEMBL5679650 1.00 SHBG (0.68) SHBGESR1ESR2LMNAPGR
SCHEMBL4593726 1.00 SHBG (0.68) SHBGESR1ESR2LMNAPGR
SCHEMBL6255675 1.00 SHBG (0.68) SHBGESR1ESR2LMNAPGR
SCHEMBL14116626 1.00 SHBG (0.68) SHBGESR1ESR2LMNAPGR
SCHEMBL3357076 1.00 SHBG (0.68) SHBGESR1ESR2LMNAPGR
SCHEMBL5678022 1.00 SHBG (0.68) SHBGESR1ESR2LMNAPGR
SCHEMBL5677831 1.00 SHBG (0.68) SHBGESR1ESR2LMNAPGR

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-1580192-A2 16-Hydroxyestratrienes as selective estrogens Schering AG (DE) 2005-09-28 EP claimed
EP-1580192-A2 16-Hydroxyestratrienes as selective estrogens Schering AG (DE) 2005-09-28 EP disclosed