SCHEMBL13556639

SCHEMBL13556639

C=CC1CC2=CC(=O)CCC2C2CCC(CC)(C/C=C\C(=O)OC)C(C3CC3)C12

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ AR P10275 16/20 0.46
▸ PGR P06401 14/20 0.46
▸ NR3C2 P08235 4/20 0.42
▸ LMNA P02545 2/20 0.33
▸ MAPT P10636 1/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ NR3C1 P04150 1/20 0.33
▸ SHBG P04278 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ SLC6A4 P31645 1/20 0.33

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
SCHEMBL13797568 0.82 AR (0.48) ARPGRNR3C2LMNAMAPT
SCHEMBL13473568 0.73 AR (0.49) ARPGRNR3C2LMNAMEN1
SCHEMBL925264 0.69 AR (0.53) ARPGRNR3C2LMNAMEN1
SCHEMBL922851 0.69 AR (0.53) ARPGRNR3C2LMNAMEN1
SCHEMBL924006 0.69 AR (0.53) ARPGRNR3C2LMNAMEN1
SCHEMBL924827 0.69 AR (0.53) ARPGRNR3C2LMNAMEN1
SCHEMBL7700801 0.69 AR (0.58) ARPGRNR3C2LMNAMAPT
SCHEMBL6836545 0.69 AR (0.58) ARPGRNR3C2LMNAMAPT
SCHEMBL6836544 0.69 AR (0.58) ARPGRNR3C2LMNAMAPT
SCHEMBL7700797 0.69 AR (0.58) ARPGRNR3C2LMNAMAPT

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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