SCHEMBL8938730

SCHEMBL8938730

COc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@@]1(C=O)CC[C@@]2(OC(C)=O)C(C)=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 6/20 0.49
LMNA P02545 5/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
MAPT P10636 2/20 0.48
HSD17B1 P14061 2/20 0.48
RECQL P46063 1/20 0.48
HSD17B10 Q99714 1/20 0.45
CYP3A4 P08684 3/20 0.42
PGR P06401 2/20 0.42
SLC6A3 Q01959 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C19 P33261 1/20 0.42
HIF1A Q16665 1/20 0.42
NR3C1 P04150 1/20 0.42
CNR1 P21554 1/20 0.42
SLC6A2 P23975 1/20 0.42
SLC6A4 P31645 1/20 0.42
ADORA3 P0DMS8 1/20 0.42
AR P10275 1/20 0.42
CHRM1 P11229 1/20 0.42

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
SCHEMBL8938732 1.00 ESR1 (0.49) ESR1LMNASMN1; SMN2MAPTHSD17B1
SCHEMBL9725135 0.79 ESR1 (0.54) ESR1LMNASMN1; SMN2MAPTHSD17B1
SCHEMBL9627471 0.79 ESR1 (0.54) ESR1LMNASMN1; SMN2MAPTHSD17B1
SCHEMBL8959340 0.76 ESR1 (0.47) ESR1LMNASMN1; SMN2MAPTHSD17B1
SCHEMBL9725173 0.76 ESR1 (0.47) ESR1LMNASMN1; SMN2MAPTHSD17B1
SCHEMBL9628187 0.76 ESR1 (0.51) ESR1LMNASMN1; SMN2MAPTHSD17B1
SCHEMBL9725104 0.76 ESR1 (0.51) ESR1LMNASMN1; SMN2MAPTHSD17B1
SCHEMBL8056155 0.75 LMNA (0.53) ESR1LMNASMN1; SMN2MAPTHSD17B1
SCHEMBL9175176 0.75 ESR1 (0.64) ESR1LMNASMN1; SMN2MAPTHSD17B1
SCHEMBL9283651 0.75 ESR1 (0.47) ESR1LMNASMN1; SMN2MAPTHSD17B1

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
US-5491137-A TREATING ESTROGEN DEFICIENCY SCHERING AKTIENGESELLSCHAFT (DE) 1996-02-13 US disclosed
EP-0511727-B1 14-alpha,17alpha-(propano- and 17,2-propeno)-estratrienes SCHERING AG (DE) 1995-11-15 EP disclosed
EP-0511727-A1 14-alpha,17alpha-(propano- and 17,2-propeno)-estratrienes SCHERING AKTIENGESELLSCHAFT (DE) 1992-11-04 EP disclosed