SCHEMBL13769023

SCHEMBL13769023

CCCC1C2CC3(CC3)C3=CC(=O)CCC3C2CCC1(CC)CCCC(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PGR P06401 8/20 0.43
▸ AR P10275 7/20 0.43
▸ LMNA P02545 4/20 0.35
▸ MAPT P10636 2/20 0.35
▸ SLC6A4 P31645 3/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ CYP3A4 P08684 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ SHBG P04278 2/20 0.33
▸ ESR1 P03372 2/20 0.33
▸ SERPINA6 P08185 2/20 0.33
▸ NR3C1 P04150 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ ABCB11 O95342 1/20 0.33
▸ SLC22A1 O15245 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ THRB P10828 1/20 0.33
▸ OPRM1 P35372 1/20 0.32
▸ NR3C2 P08235 1/20 0.31

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
SCHEMBL13770191 0.78 PGR (0.50) PGRARLMNASLC6A4MEN1
SCHEMBL13769017 0.78 AR (0.44) PGRARLMNAMAPTSLC6A4
SCHEMBL13796902 0.75 PGR (0.34) PGRAR
SCHEMBL13769152 0.72 PGR (0.48) PGRARLMNASLC6A4MEN1
SCHEMBL13556656 0.72 SHBG (0.44) PGRARLMNAMAPTSLC6A4
SCHEMBL13769269 0.71 PDK1 (0.31) —
SCHEMBL3763965 0.69 PGR (0.60) PGRARLMNASLC6A4CYP3A4
SCHEMBL13769270 0.68 PDK1 (0.34) PGRARLMNAMAPT
SCHEMBL13474786 0.68 NR1I2 (0.37) PGRARSLC6A4NR3C1
SCHEMBL13768460 0.68 PGR (0.48) PGRARLMNAMAPTSHBG

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-2009083266-A1 17-HYDROXY-19-NOR-21-CARBOXYLIC ACID-STEROID γ-LACTONE DERIVATIVE, USE THEREOF, AND MEDICAMENT CONTAINING THE DERIVATIVE BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-07-09 — — WO disclosed
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