SCHEMBL13796904

SCHEMBL13796904

CCC1CC2=C/C(=N/O)CCC2C2CCC(CC)(CCCC(=O)O)C(C3CC3C)C12

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PGR P06401 7/20 0.37
▸ AR P10275 6/20 0.37
▸ NR1I2 O75469 2/20 0.36
▸ NR3C1 P04150 1/20 0.36
▸ ADORA3 P0DMS8 1/20 0.36
▸ SLC6A2 P23975 1/20 0.36
▸ AGTR1 P30556 1/20 0.36
▸ SLC6A4 P31645 1/20 0.36
▸ DRD3 P35462 1/20 0.36
▸ SLC6A3 Q01959 1/20 0.36
▸ PDE4D Q08499 1/20 0.36
▸ PDK1 Q15118 4/20 0.36
▸ PDK2 Q15119 4/20 0.36
▸ PDK3 Q15120 4/20 0.36
▸ PDK4 Q16654 4/20 0.36
▸ NR3C2 P08235 2/20 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
SCHEMBL13768840 0.90 PGR (0.36) PGRARNR1I2NR3C1ADORA3
SCHEMBL13768718 0.79 AR (0.45) PGRARNR3C2
SCHEMBL13795746 0.78 AR (0.37) PGRARNR1I2NR3C1ADORA3
SCHEMBL13556656 0.75 SHBG (0.44) PGRARNR3C1SLC6A4NR3C2
SCHEMBL13769270 0.71 PDK1 (0.34) PGRARPDK1PDK2PDK3
SCHEMBL13768826 0.70 — —
SCHEMBL13796902 0.68 PGR (0.34) PGRAR
SCHEMBL13796510 0.68 PGR (0.47) PGRARNR3C1SLC6A4NR3C2
SCHEMBL14949843 0.68 PGR (0.62) PGRARNR1I2NR3C1ADORA3
SCHEMBL13769014 0.67 PDK1 (0.35) PGRARNR1I2NR3C1ADORA3

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-2009083269-A1 15,16-METHYLENE-17-HYDROXY-19-NOR-21-CARBOXYLIC ACID γ-LACTONE DERIVATIVE, USE THEREOF, AND MEDICAMENT CONTAINING SAID DERIVATIVE BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-07-09 — — WO disclosed
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