SCHEMBL8059548

SCHEMBL8059548

CN(C)CCOc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@]2(C)CCC[C@@H]12

nearest known ligand 0.67

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
STS P08842 1/20 0.67
SHBG P04278 1/20 0.61
HRH3 Q9Y5N1 16/20 0.56
KCNH2 Q12809 4/20 0.54
KDM4E B2RXH2 1/20 0.51
ALDH1A1 P00352 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
SCHEMBL5675173 1.00 STS (0.67) STSSHBGHRH3KCNH2KDM4E
SCHEMBL8154128 1.00 STS (0.67) STSSHBGHRH3KCNH2KDM4E
SCHEMBL5679656 0.94 STS (0.60) STSSHBGHRH3KCNH2KDM4E
SCHEMBL8151594 0.90 STS (0.64) STSSHBGHRH3KCNH2KDM4E
SCHEMBL5678711 0.90 STS (0.64) STSSHBGHRH3KCNH2KDM4E
SCHEMBL8151812 0.90 STS (0.64) STSSHBGHRH3KCNH2KDM4E
SCHEMBL8145325 0.84 STS (0.50) STSHRH3KCNH2KDM4EALDH1A1
SCHEMBL14252903 0.84 STS (0.70) STSSHBGHRH3KCNH2KDM4E
SCHEMBL8145247 0.83 HRH3 (0.71) STSSHBGHRH3KCNH2
SCHEMBL8144474 0.83 HRH3 (0.77) STSSHBGHRH3KCNH2

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 5 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-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 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
US-6046186-A ANTITUMOR AGENTS, ANTICARCINOGENIC AGENTS SRI INTERNATIONAL (US) 2000-04-04 US 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