SCHEMBL3647269

SCHEMBL3647269

CC(=O)OC1C[C@H]2C(=CC1=O)C=C[C@@H]1[C@@H]2CC[C@]2(C)CCC[C@@H]12

nearest known ligand 0.37

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 17/20 0.37
PGR P06401 2/20 0.37
AR P10275 2/20 0.37
NR3C2 P08235 1/20 0.37
CYP17A1 P05093 1/20 0.34

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
SCHEMBL5189497 0.83 CYP19A1 (0.35) CYP19A1PGRCYP17A1
SCHEMBL6535687 0.82 AR (0.39) CYP19A1PGRARNR3C2
SCHEMBL6244893 0.77 SERPINA6 (0.41) CYP19A1PGRAR
SCHEMBL3647267 0.76 AR (0.35) CYP19A1PGRARNR3C2CYP17A1
SCHEMBL13217275 0.74 AR (0.57) CYP19A1PGRARNR3C2
SCHEMBL2929841 0.74 AR (0.57) CYP19A1PGRARNR3C2
SCHEMBL1860492 0.73 CYP19A1 (0.44) CYP19A1PGRARNR3C2
SCHEMBL7702632 0.72 CYP19A1 (0.36) CYP19A1PGRARNR3C2
SCHEMBL3354601 0.72 AR (0.38) CYP19A1PGRARNR3C2
SCHEMBL28769361 0.71 CYP19A1 (0.36) CYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2183267-A2 PROCESS FOR PREPARING 7-ALPHA-[9-(4,4,5,5,5-PENTAFLUOROTHIOPENTYL) NONYL]ESTRA-1,3,5(10)-TRIENE-3,17-BETA-DIOL INDUSTRIALE CHIMICA S.r.l. (IT) 2010-05-12 EP disclosed
WO-2009013310-A2 PROCESS FOR PREPARING 7-ALPHA-[9-(4,4,5,5,5-PENTAFLUOROTHIOPENTYL)NONYL]ESTRA-1,3,5(10)-TRIENE-3,17-BETA-DIOL INDUSTRIALE CHIMICA S.R.L. (IT) 2009-01-29 WO disclosed