SCHEMBL16404188

SCHEMBL16404188

CC[C@]12CCC3C(CC4(CC4)C4=CC(=NO)CC[C@@H]43)C1CC[C@@]21C=CC(=O)O1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PGR P06401 16/20 0.79
▸ AR P10275 15/20 0.79
▸ NR1I2 O75469 2/20 0.47
▸ NR3C2 P08235 2/20 0.44
▸ SLC6A4 P31645 3/20 0.43
▸ NR3C1 P04150 2/20 0.43
▸ ADORA3 P0DMS8 1/20 0.43
▸ SLC6A2 P23975 1/20 0.43
▸ AGTR1 P30556 1/20 0.43
▸ DRD3 P35462 1/20 0.43
▸ SLC6A3 Q01959 1/20 0.43
▸ PDE4D Q08499 1/20 0.43
▸ MEN1 O00255 2/20 0.39
▸ CYP3A4 P08684 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ LMNA P02545 2/20 0.39
▸ SHBG P04278 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ ABCB11 O95342 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
SCHEMBL12924053 0.88 AR (1.00) PGRARNR3C2
SCHEMBL12923989 0.88 AR (1.00) PGRARNR3C2
SCHEMBL16404180 0.86 PGR (0.78) PGRARNR1I2NR3C2SLC6A4
SCHEMBL16404175 0.86 PGR (0.78) PGRARNR3C2
SCHEMBL12924013 0.86 AR (0.83) PGRARNR3C2
SCHEMBL13013654 0.84 AR (0.58) PGRARNR1I2NR3C2SLC6A4
SCHEMBL12906943 0.82 PGR (0.53) PGRARNR1I2NR3C2SLC6A4
SCHEMBL16404187 0.82 PGR (0.57) PGRARNR1I2NR3C2SLC6A4
SCHEMBL16404186 0.81 PGR (0.81) PGRARNR1I2NR3C2SLC6A4
SCHEMBL16404185 0.80 AR (0.78) PGRARNR1I2NR3C2SLC6A4

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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