SCHEMBL8152987

SCHEMBL8152987

C[C@]12CC[C@@H]3c4ccc(OCCN5CCCCC5)cc4CC[C@H]3[C@@H]1CCC2=O

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 10/20 0.68
KDM4E B2RXH2 2/20 0.66
ALDH1A1 P00352 1/20 0.66
LMNA P02545 2/20 0.66
MAPT P10636 2/20 0.66
HSD17B1 P14061 2/20 0.66
RECQL P46063 1/20 0.66
SMN1; SMN2 Q16637 1/20 0.66
STS P08842 5/20 0.62
KCNH2 Q12809 2/20 0.62
ESR1 P03372 2/20 0.61
ESR2 Q92731 2/20 0.61
ABCC4 O15439 1/20 0.61
CYP2C9 P11712 1/20 0.61
ABCC1 P33527 1/20 0.61
SLCO1B1 Q9Y6L6 1/20 0.61
CA1 P00915 1/20 0.61
CA2 P00918 1/20 0.61
CA4 P22748 1/20 0.61
CA6 P23280 1/20 0.61

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
SCHEMBL8145956 0.91 KDM4E (0.64) HRH3KDM4EALDH1A1LMNAMAPT
SCHEMBL6691697 0.85 HSD17B1 (0.74) KDM4EALDH1A1LMNAMAPTHSD17B1
SCHEMBL10134113 0.85 HSD17B1 (0.74) KDM4EALDH1A1LMNAMAPTHSD17B1
SCHEMBL14044784 0.85 HSD17B1 (0.74) KDM4EALDH1A1LMNAMAPTHSD17B1
SCHEMBL11672003 0.85 HSD17B1 (0.74) KDM4EALDH1A1LMNAMAPTHSD17B1
SCHEMBL7755033 0.85 HSD17B1 (0.74) KDM4EALDH1A1LMNAMAPTHSD17B1
SCHEMBL8145247 0.85 HRH3 (0.71) HRH3STSKCNH2SHBG
SCHEMBL6696320 0.84 HSD17B1 (0.77) KDM4EALDH1A1LMNAMAPTHSD17B1
SCHEMBL14377634 0.84 KDM4E (0.72) HRH3KDM4EALDH1A1LMNAMAPT
SCHEMBL9633204 0.84 KDM4E (0.75) KDM4EALDH1A1LMNAMAPTHSD17B1

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 4 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
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