SCHEMBL13770307

SCHEMBL13770307

CCCCC1(CC)CCC2C3CC/C(=N\O)C=C3C(CO)CC2C1CCC

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PGR P06401 5/20 0.37
▸ AR P10275 4/20 0.37
▸ NR3C2 P08235 1/20 0.37
▸ PDK1 Q15118 2/20 0.34
▸ PDK2 Q15119 2/20 0.34
▸ PDK3 Q15120 2/20 0.34
▸ PDK4 Q16654 2/20 0.34
▸ NR1I2 O75469 2/20 0.34
▸ NR3C1 P04150 1/20 0.31
▸ ADORA3 P0DMS8 1/20 0.31
▸ SLC6A2 P23975 1/20 0.31
▸ AGTR1 P30556 1/20 0.31
▸ SLC6A4 P31645 1/20 0.31
▸ DRD3 P35462 1/20 0.31
▸ SLC6A3 Q01959 1/20 0.31
▸ PDE4D Q08499 1/20 0.31

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
SCHEMBL13474747 0.72 ESR1 (0.34) PGRARNR3C2SLC6A2SLC6A4
SCHEMBL13013652 0.67 AR (0.79) PGRARNR3C2NR1I2NR3C1
SCHEMBL13768460 0.67 PGR (0.48) PGRARNR3C2
SCHEMBL12942949 0.66 PGR (0.62) PGRARNR3C2PDK1PDK2
SCHEMBL13796510 0.66 PGR (0.47) PGRARNR3C2NR3C1SLC6A4
SCHEMBL13013595 0.65 AR (0.60) PGRARNR3C2PDK1PDK2
SCHEMBL13797345 0.65 PGR (0.48) PGRARNR3C2NR3C1SLC6A4
SCHEMBL13770472 0.65 SHBG (0.47) PGRARNR3C2NR3C1SLC6A4
SCHEMBL13769015 0.64 PDK1 (0.33) PGRARPDK1PDK2PDK3
SCHEMBL12904809 0.64 PGR (0.54) PGRARNR3C2PDK1PDK2

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-2009083267-A2 STEROID-17,17-LACTOL DERIVATIVE, USE THEREOF, AND MEDICAMENT CONTAINING SAID DERIVATIVE BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-07-09 — — WO disclosed
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