SCHEMBL13770461

SCHEMBL13770461

C=CC1CC2=CC(=O)CCC2C2CCC3(C)C(C)CCC3C12

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
AR P10275 12/20 0.59
NR3C2 P08235 2/20 0.59
PGR P06401 10/20 0.58
SERPINA6 P08185 2/20 0.47
SHBG P04278 2/20 0.47
SLC22A1 O15245 1/20 0.47
ALDH1A1 P00352 1/20 0.47
THRB P10828 1/20 0.47
CYP19A1 P11511 2/20 0.42
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39

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
SCHEMBL13397510 1.00 AR (0.59) ARNR3C2PGRSERPINA6SHBG
SCHEMBL13770159 1.00 AR (0.59) ARNR3C2PGRSERPINA6SHBG
SCHEMBL5026470 0.88 AR (0.72) ARNR3C2PGRSERPINA6SHBG
SCHEMBL17302821 0.88 AR (0.72) ARNR3C2PGRSERPINA6SHBG
SCHEMBL13334513 0.85 AR (0.58) ARNR3C2PGRSERPINA6SHBG
SCHEMBL4211987 0.85 AR (0.58) ARNR3C2PGRSERPINA6SHBG
SCHEMBL6464435 0.85 AR (0.55) ARNR3C2PGRSERPINA6SHBG
SCHEMBL4215694 0.85 AR (0.58) ARNR3C2PGRSERPINA6SHBG
SCHEMBL12884315 0.85 AR (0.78) ARNR3C2PGRSERPINA6SHBG
SCHEMBL25863881 0.85 AR (0.78) ARNR3C2PGRSERPINA6SHBG

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009083268-A2 17-(1'-PROPENYL)-17-3'-OXIDOESTRA-4-EN-3-ONE DERIVATIVE, USE THEREOF, AND MEDICAMENT CONTAINING SAID DERIVATIVE BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-07-09 WO disclosed