SCHEMBL6839221

SCHEMBL6839221

CC#C[C@]12CCC(=O)C=C1CC[C@@H]1C2=CC[C@@]2(C)[C@H]1CC[C@@]2(O)CCC(=O)O

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PGR P06401 9/20 0.51
NR3C1 P04150 6/20 0.51
AR P10275 3/20 0.51
NR3C2 P08235 1/20 0.51
CYP19A1 P11511 5/20 0.40
TDP1 Q9NUW8 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
LMNA P02545 1/20 0.37
PDE4D Q08499 1/20 0.37

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
SCHEMBL6705112 0.90 NR3C1 (0.47) PGRNR3C1ARNR3C2CYP19A1
SCHEMBL10530695 0.88 NR3C1 (0.55) PGRNR3C1ARNR3C2CYP19A1
SCHEMBL4978346 0.85 NR3C1 (0.61) PGRNR3C1ARNR3C2CYP19A1
SCHEMBL4978357 0.85 NR3C1 (0.61) PGRNR3C1ARNR3C2CYP19A1
SCHEMBL6706204 0.80 NR3C1 (0.42) PGRNR3C1ARNR3C2CYP19A1
SCHEMBL28472478 0.78 NR3C1 (0.42) PGRNR3C1ARNR3C2CYP19A1
SCHEMBL7795449 0.75 SHBG (0.48) PGRNR3C1ARCYP19A1TDP1
SCHEMBL10723544 0.75 NR3C1 (0.45) PGRNR3C1ARNR3C2CYP19A1
SCHEMBL6167275 0.74 NR3C1 (0.42) PGRNR3C1ARNR3C2CYP19A1
SCHEMBL4255035 0.74 NR3C1 (0.44) PGRNR3C1ARNR3C2CYP19A1

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
US-6759399-B1 USING SUCH AS GAMMA-LACTONE OF 10-ETHYNYL-17-HYDROXY-3-OXO-19-NOR-17-PREGNA-4,9(11)-DIENE-21-CARBOXYLIC ACID AVENTIS PHARMA S.A. (FR) 2004-07-06 US claimed