SCHEMBL13797344

SCHEMBL13797344

CCC(C)C1C2C[C@@H](CO)C3=CC(=O)CCC3C2CCC1(CC)CCCCOC

nearest known ligand 0.46

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ PGR P06401 5/20 0.46
▸ AR P10275 4/20 0.46
▸ NR3C2 P08235 1/20 0.46
▸ CYP19A1 P11511 2/20 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
SCHEMBL13797345 0.85 PGR (0.48) PGRARNR3C2CYP19A1
SCHEMBL13770651 0.78 PGR (0.49) PGRARNR3C2CYP19A1
SCHEMBL13796510 0.72 PGR (0.47) PGRARNR3C2CYP19A1
SCHEMBL13770481 0.72 AR (0.41) PGRARNR3C2CYP19A1
SCHEMBL16564394 0.64 PGR (0.53) PGRARNR3C2CYP19A1
SCHEMBL16564406 0.64 PGR (0.53) PGRARNR3C2CYP19A1
SCHEMBL13925594 0.64 PGR (0.51) PGRARNR3C2CYP19A1
SCHEMBL13770129 0.64 AR (0.46) PGRARNR3C2
SCHEMBL13770653 0.64 AR (0.48) PGRARNR3C2
SCHEMBL10089114 0.64 PGR (0.57) PGRARNR3C2CYP19A1

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-2009083271-A1 15,16-METHYLENE-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
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