SCHEMBL8159727

SCHEMBL8159727

CN(C)CCCOc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@@]2(C)O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STS P08842 7/20 0.62
LMNA P02545 5/20 0.55
ESR1 P03372 3/20 0.55
PGR P06401 3/20 0.55
CYP2C19 P33261 2/20 0.55
NR3C1 P04150 2/20 0.55
SLC6A3 Q01959 2/20 0.55
CYP1A2 P05177 1/20 0.55
CYP3A4 P08684 1/20 0.55
HIF1A Q16665 1/20 0.55
CNR1 P21554 1/20 0.55
SLC6A2 P23975 1/20 0.55
SLC6A4 P31645 1/20 0.55
MAPT P10636 2/20 0.52
HSD17B10 Q99714 2/20 0.52
GAA P10253 1/20 0.52
MAPK1 P28482 1/20 0.52
ALDH1A1 P00352 1/20 0.52
CYP2C9 P11712 1/20 0.52
RECQL P46063 1/20 0.51

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
SCHEMBL8145946 0.95 STS (0.64) STSLMNAESR1PGRCYP2C19
SCHEMBL8151814 0.91 STS (0.60) STSLMNAESR1PGRCYP2C19
SCHEMBL8151131 0.91 STS (0.66) STSLMNAESR1PGRCYP2C19
SCHEMBL8153139 0.89 ESR1 (0.72) STSLMNAESR1PGRCYP2C19
SCHEMBL8151660 0.88 ESR1 (0.52) STSLMNAESR1PGRCYP2C19
SCHEMBL8153058 0.88 STS (0.62) STSLMNAESR1PGRCYP2C19
SCHEMBL8145976 0.87 ESR1 (0.55) STSLMNAESR1PGRCYP2C19
SCHEMBL8145253 0.87 ESR1 (0.55) STSLMNAESR1PGRCYP2C19
SCHEMBL8151948 0.86 STS (0.67) STSLMNAESR1PGRCYP2C19
SCHEMBL8145965 0.84 HSD17B10 (0.72) STSLMNAESR1PGRCYP2C19

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
EP-0676202-B1 Use of aromatic steroids substituted in 3-position by a disubstituted aminoalkoxy chain for the manufacture of a medicament for the control of fertility, in particular male fertility HOECHST MARION ROUSSEL INC (FR) 2000-06-07 EP claimed
EP-0676202-B1 Use of aromatic steroids substituted in 3-position by a disubstituted aminoalkoxy chain for the manufacture of a medicament for the control of fertility, in particular male fertility HOECHST MARION ROUSSEL INC (FR) 2000-06-07 EP disclosed
EP-0676202-A2 Use of aromatic steroids substituted in 3-position by a disubstituted aminoalkoxy chain for the manufacture of a medicament for the control of fertility, in particular male fertility ROUSSEL UCLAF (FR) 1995-10-11 EP disclosed