SCHEMBL13769022

SCHEMBL13769022

CCC12CCC3C4CCC(=O)C=C4C4CC4C3C1CC[C@]2(C)OC(=O)CI

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PGR P06401 16/20 0.42
▸ AR P10275 16/20 0.42
▸ NR3C2 P08235 4/20 0.42
▸ MEN1 O00255 2/20 0.38
▸ CYP3A4 P08684 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ LMNA P02545 2/20 0.38
▸ SLC6A4 P31645 2/20 0.38
▸ NR3C1 P04150 1/20 0.38
▸ SHBG P04278 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ ABCB11 O95342 1/20 0.38
▸ ESR1 P03372 1/20 0.38

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
SCHEMBL13769020 0.78 PGR (0.41) PGRARNR3C2MEN1CYP3A4
SCHEMBL4106247 0.77 PGR (0.46) PGRARNR3C2MEN1CYP3A4
SCHEMBL4107733 0.77 PGR (0.46) PGRARNR3C2MEN1CYP3A4
SCHEMBL984637 0.76 PGR (0.43) PGRARNR3C2MEN1CYP3A4
SCHEMBL985586 0.76 PGR (0.43) PGRARNR3C2MEN1CYP3A4
SCHEMBL11647236 0.75 PGR (0.45) PGRARNR3C2MEN1CYP3A4
SCHEMBL13770131 0.75 AR (0.43) PGRARNR3C2MEN1CYP3A4
SCHEMBL11643807 0.75 PGR (0.45) PGRARNR3C2MEN1CYP3A4
SCHEMBL12949547 0.74 PGR (0.55) PGRARNR3C2
SCHEMBL11644732 0.74 AR (0.42) PGRARNR3C2MEN1CYP3A4

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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