SCHEMBL8077892

SCHEMBL8077892

C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@@]2(O)CCCCI

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SHBG P04278 8/20 0.65
NR3C1 P04150 5/20 0.65
PGR P06401 4/20 0.65
ALDH1A1 P00352 3/20 0.65
ADRA1A P35348 1/20 0.65
HTR2B P41595 1/20 0.65
LMNA P02545 8/20 0.62
SMN1; SMN2 Q16637 5/20 0.62
TSHR P16473 5/20 0.62
CYP2C19 P33261 3/20 0.62
AR P10275 3/20 0.62
MEN1 O00255 2/20 0.62
KMT2A Q03164 2/20 0.62
HIF1A Q16665 2/20 0.62
THRB P10828 1/20 0.62
ESR1 P03372 1/20 0.62
SERPINA6 P08185 7/20 0.61
BLM P54132 4/20 0.61
MAPT P10636 2/20 0.61
ADORA3 P0DMS8 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
SCHEMBL6705535 0.91 SHBG (0.67) SHBGNR3C1PGRALDH1A1ADRA1A
SCHEMBL10891364 0.91 SHBG (0.67) SHBGNR3C1PGRALDH1A1ADRA1A
SCHEMBL10891355 0.91 SHBG (0.67) SHBGNR3C1PGRALDH1A1ADRA1A
SCHEMBL6705536 0.91 SHBG (0.67) SHBGNR3C1PGRALDH1A1ADRA1A
SCHEMBL10892419 0.89 SHBG (0.68) SHBGNR3C1PGRALDH1A1ADRA1A
SCHEMBL11728942 0.89 SHBG (0.68) SHBGNR3C1PGRALDH1A1ADRA1A
SCHEMBL10892429 0.89 SHBG (0.68) SHBGNR3C1PGRALDH1A1ADRA1A
SCHEMBL8236612 0.89 SHBG (0.68) SHBGNR3C1PGRALDH1A1ADRA1A
SCHEMBL14571216 0.89 SHBG (0.68) SHBGNR3C1PGRALDH1A1ADRA1A
SCHEMBL10393805 0.89 SHBG (0.68) SHBGNR3C1PGRALDH1A1ADRA1A

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-0650495-B1 IMPROVED ANTIANDROGENS ENDORECHERCHE INC (CA) 2000-11-08 EP disclosed
US-6015806-A TOPICAL USE IN THE TREATMENT OF ANDROGEN-DEPENDENT DISEASES ASSOCIATED WITH THE SKIN. ENDORECHERCHE (CA) 2000-01-18 US disclosed
EP-0650495-A1 IMPROVED ANTIANDROGENS ENDORECHERCHE INC. (CA) 1995-05-03 EP disclosed
WO-1994026767-A1 IMPROVED ANTIANDROGENS ENDORECHERCHE INC. (CA) 1994-11-24 WO disclosed