SCHEMBL16572785

SCHEMBL16572785

CCC12CCC3C4CCC(=O)C=C4CC(C4CC4)C3C1[C@H]1CC1[C@@]21CCC(=O)O1

nearest known ligand 0.75

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ PGR P06401 19/20 0.75
▸ AR P10275 19/20 0.75
▸ NR3C2 P08235 2/20 0.46
▸ LMNA P02545 1/20 0.42

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
SCHEMBL12998925 1.00 PGR (0.75) PGRARNR3C2LMNA
SCHEMBL12998936 0.91 PGR (0.62) PGRARNR3C2LMNA
SCHEMBL13768715 0.90 AR (0.75) PGRARNR3C2
SCHEMBL13796418 0.90 AR (0.75) PGRARNR3C2
SCHEMBL16572811 0.90 AR (0.75) PGRARNR3C2
SCHEMBL12942947 0.90 AR (0.75) PGRARNR3C2
SCHEMBL13556634 0.89 PGR (0.78) PGRARNR3C2
SCHEMBL12943049 0.89 PGR (0.78) PGRARNR3C2
SCHEMBL14949842 0.89 PGR (0.59) PGRARNR3C2LMNA
SCHEMBL16572798 0.86 AR (0.76) PGRARNR3C2

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
EP-2238149-B1 19-NOR-STEROID DERIVATIVES WITH A 15ALPHA, 16ALPHA-METHYLENE GROUP AND A SATURATED 17,17-SPIROLACTONE RING, USE THEREOF, AND MEDICAMENTS CONTAINING SAID DERIVATIVES BAYER IP GMBH (DE) 2015-03-18 — — EP disclosed
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