SCHEMBL16404187

SCHEMBL16404187

C=C1CC2C(CC[C@@]3(CC)C2CC[C@@]32C=CC(=O)O2)[C@H]2CCC(=NO)C=C12

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ PGR P06401 19/20 0.57
▸ AR P10275 18/20 0.57
▸ NR1I2 O75469 2/20 0.43
▸ NR3C2 P08235 3/20 0.41
▸ NR3C1 P04150 1/20 0.41
▸ ADORA3 P0DMS8 1/20 0.41
▸ SLC6A2 P23975 1/20 0.41
▸ AGTR1 P30556 1/20 0.41
▸ SLC6A4 P31645 1/20 0.41
▸ DRD3 P35462 1/20 0.41
▸ SLC6A3 Q01959 1/20 0.41
▸ PDE4D Q08499 1/20 0.41

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
SCHEMBL12923986 0.88 AR (0.70) PGRARNR3C2
SCHEMBL12924009 0.87 PGR (0.60) PGRARNR3C2
SCHEMBL16404173 0.87 PGR (0.53) PGRARNR3C2
SCHEMBL13013650 0.84 AR (0.55) PGRARNR1I2NR3C2NR3C1
SCHEMBL16404180 0.84 PGR (0.78) PGRARNR1I2NR3C2NR3C1
SCHEMBL12906932 0.82 PGR (0.40) PGRARNR1I2NR3C2NR3C1
SCHEMBL16404188 0.82 PGR (0.79) PGRARNR1I2NR3C2NR3C1
SCHEMBL16404186 0.80 PGR (0.81) PGRARNR1I2NR3C2NR3C1
SCHEMBL16404181 0.80 PGR (0.79) PGRARNR1I2NR3C2NR3C1
SCHEMBL16404184 0.79 PGR (0.79) PGRARNR1I2NR3C2NR3C1

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
US-8937058-B2 17-hydroxy-19-nor-21-carboxylic acid-steroid γ-lactone derivative, use thereof, and medicament containing the derivative BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-01-20 — — US disclosed
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