SCHEMBL13557252

SCHEMBL13557252

C[C@@H]1CC2C3C=CC4=CC(=O)CCC4C3CCC2(C)C12CCCO2

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ AR P10275 15/20 0.57
▸ PGR P06401 14/20 0.57
▸ NR3C2 P08235 5/20 0.57
▸ NR3C1 P04150 1/20 0.34
▸ PDE4D Q08499 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34

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
SCHEMBL12942714 0.84 AR (0.55) ARPGRNR3C2NR3C1PDE4D
SCHEMBL12942706 0.84 AR (0.55) ARPGRNR3C2NR3C1PDE4D
SCHEMBL13797332 0.84 AR (0.55) ARPGRNR3C2NR3C1PDE4D
SCHEMBL12942779 0.84 AR (0.55) ARPGRNR3C2NR3C1PDE4D
SCHEMBL13797685 0.84 AR (0.55) ARPGRNR3C2NR3C1PDE4D
SCHEMBL12942742 0.84 AR (0.55) ARPGRNR3C2NR3C1PDE4D
SCHEMBL13062187 0.81 AR (0.66) ARPGRNR3C2NR3C1PDE4D
SCHEMBL12942849 0.76 AR (0.57) ARPGRNR3C2
SCHEMBL12942739 0.76 AR (0.57) ARPGRNR3C2
SCHEMBL12942781 0.76 AR (0.57) ARPGRNR3C2

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-2238148-B1 15,16-METHYLENE-17-(1'-PROPENYL)-17,3'-OXIDOESTRA-4-EN-3-ONE DERIVATIVE, USE THEREOF, AND MEDICAMENT CONTAINING SAID DERIVATIVE BAYER IP GMBH (DE) 2012-10-24 — — EP disclosed
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