SCHEMBL13556642

SCHEMBL13556642

CCC12CCC3C4CC/C(=N\O)C=C4C=CC3C1C1CC1C21C=CC(=O)O1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ AR P10275 17/20 0.53
▸ PGR P06401 17/20 0.53
▸ NR3C2 P08235 4/20 0.45
▸ NR1I2 O75469 2/20 0.37
▸ SLC6A4 P31645 2/20 0.35
▸ NR3C1 P04150 1/20 0.35
▸ ADORA3 P0DMS8 1/20 0.35
▸ SLC6A2 P23975 1/20 0.35
▸ AGTR1 P30556 1/20 0.35
▸ DRD3 P35462 1/20 0.35
▸ SLC6A3 Q01959 1/20 0.35
▸ PDE4D Q08499 1/20 0.35
▸ LMNA P02545 1/20 0.30
▸ ESR1 P03372 1/20 0.30
▸ OPRM1 P35372 1/20 0.30

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
SCHEMBL12906928 1.00 AR (0.53) ARPGRNR3C2NR1I2SLC6A4
SCHEMBL12906958 0.89 AR (0.67) ARPGRNR3C2LMNA
SCHEMBL12906924 0.89 AR (0.67) ARPGRNR3C2LMNA
SCHEMBL12906909 0.87 AR (0.51) ARPGRNR3C2
SCHEMBL12904855 0.85 AR (0.51) ARPGRNR3C2NR1I2SLC6A4
SCHEMBL12942946 0.84 AR (0.45) ARPGRNR3C2NR1I2SLC6A4
SCHEMBL12906922 0.83 PGR (0.51) ARPGRNR3C2NR1I2SLC6A4
SCHEMBL16404185 0.82 AR (0.78) ARPGRNR3C2NR1I2SLC6A4
SCHEMBL12906933 0.81 PGR (0.42) ARPGRNR3C2NR1I2SLC6A4
SCHEMBL12906925 0.81 PGR (0.53) ARPGRNR3C2NR1I2SLC6A4

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-2238150-B1 15,16-METHYLENE-17-HYDROXY-19-NOR-21-CARBOXYLIC ACID y-LACTONE DERIVATIVE, USE THEREOF, AND MEDICAMENT CONTAINING SAID DERIVATIVE BAYER IP GMBH (DE) 2012-10-24 — — EP disclosed
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