SCHEMBL13474752

SCHEMBL13474752

CCCCC[C@@H]1CC[C@H]2[C@@H]3C=CC4=CC(=O)CC[C@@H]4[C@H]3CC[C@]12C

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ AR P10275 9/20 0.49
▸ PGR P06401 3/20 0.49
▸ NR3C2 P08235 2/20 0.49
▸ LMNA P02545 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ SERPINA6 P08185 2/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ SLC22A1 O15245 1/20 0.40
▸ SHBG P04278 1/20 0.40
▸ THRB P10828 1/20 0.40
▸ NR3C1 P04150 4/20 0.38
▸ CYP19A1 P11511 7/20 0.37
▸ CYP3A4 P08684 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35

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
SCHEMBL2833823 0.88 AR (0.51) ARPGRNR3C2LMNAMAPT
SCHEMBL4261966 0.82 AR (0.50) ARPGRNR3C2LMNAMAPT
SCHEMBL13216960 0.82 AR (0.48) ARPGRNR3C2LMNAMAPT
SCHEMBL7703808 0.82 SHBG (0.59) ARPGRNR3C2LMNAMAPT
SCHEMBL2832958 0.82 SHBG (0.59) ARPGRNR3C2LMNAMAPT
SCHEMBL12638972 0.80 AR (0.56) ARPGRNR3C2SERPINA6ALDH1A1
SCHEMBL13474816 0.79 AR (0.55) ARPGRNR3C2LMNAMAPT
SCHEMBL2953448 0.78 AR (0.46) ARPGRNR3C2LMNAMAPT
SCHEMBL23383533 0.77 SERPINA6 (0.61) ARPGRNR3C2LMNAMAPT
SCHEMBL10089012 0.77 AR (0.55) ARPGRNR3C2SERPINA6ALDH1A1

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-2238147-B1 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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