SCHEMBL13768840

SCHEMBL13768840

CCC1(CCCC(=O)O)CCC2C3CC/C(=N\O)C=C3CC(C3CC3)C2C1[C@H]1CC1C

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ PGR P06401 5/20 0.36
▸ 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
▸ AR P10275 5/20 0.35

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
SCHEMBL13796904 0.90 PGR (0.37) PGRNR1I2NR3C1ADORA3SLC6A2
SCHEMBL13768718 0.90 AR (0.45) PGRAR
SCHEMBL13769270 0.79 PDK1 (0.34) PGRPDK1PDK2PDK3PDK4
SCHEMBL13795746 0.76 AR (0.37) PGRNR1I2NR3C1ADORA3SLC6A2
SCHEMBL13556656 0.75 SHBG (0.44) PGRNR3C1SLC6A4AR
SCHEMBL13796197 0.72 AR (0.41) PGRNR1I2NR3C1ADORA3SLC6A2
SCHEMBL13556651 0.72 PGR (0.35) PGRNR1I2NR3C1ADORA3SLC6A2
SCHEMBL13768826 0.70 — —
SCHEMBL13796510 0.68 PGR (0.47) PGRNR3C1SLC6A4AR
SCHEMBL13796902 0.68 PGR (0.34) PGRAR

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-2009083272-A2 19-NOR-STEROID DERIVATIVES WITH A 15α,16α-METHYLENE GROUP AND A SATURATED 17,17-SPIROLACTONE RING, USE THEREOF, AND MEDICAMENTS CONTAINING SAID DERIVATIVES BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-07-09 — — WO disclosed
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