SCHEMBL16404173

SCHEMBL16404173

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

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ PGR P06401 18/20 0.53
▸ AR P10275 18/20 0.53
▸ PDK1 Q15118 2/20 0.41
▸ PDK2 Q15119 2/20 0.41
▸ PDK3 Q15120 2/20 0.41
▸ PDK4 Q16654 2/20 0.41
▸ NR3C2 P08235 1/20 0.39

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
SCHEMBL12923951 0.88 PGR (0.65) PGRARNR3C2
SCHEMBL16404187 0.87 PGR (0.57) PGRARNR3C2
SCHEMBL12923970 0.86 AR (0.56) PGRARNR3C2
SCHEMBL13013594 0.83 AR (0.53) PGRARPDK1PDK2PDK3
SCHEMBL16404171 0.83 PGR (0.60) PGRARPDK1PDK2PDK3
SCHEMBL12906894 0.81 PGR (0.37) PGRARPDK1PDK2PDK3
SCHEMBL16404175 0.81 PGR (0.78) PGRARPDK1PDK2PDK3
SCHEMBL16404177 0.79 AR (0.78) PGRARPDK1PDK2PDK3
SCHEMBL16404178 0.79 PGR (0.80) PGRARPDK1PDK2PDK3
SCHEMBL16404174 0.78 AR (0.78) PGRARPDK1PDK2PDK3

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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