SCHEMBL13797332

SCHEMBL13797332

CC12CCC3C4CCC(=O)C=C4C=CC3C1C1CC1[C@@]21CCCO1

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ AR P10275 17/20 0.55
▸ PGR P06401 16/20 0.55
▸ NR3C2 P08235 4/20 0.55
▸ NR3C1 P04150 2/20 0.38
▸ LMNA P02545 1/20 0.38
▸ ABCC4 O15439 1/20 0.38
▸ ABCB11 O95342 1/20 0.38
▸ CHRM2 P08172 1/20 0.38
▸ HTR2A P28223 1/20 0.38
▸ HTR2B P41595 1/20 0.38
▸ PDE4D Q08499 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
SCHEMBL13797685 1.00 AR (0.55) ARPGRNR3C2NR3C1LMNA
SCHEMBL12942779 1.00 AR (0.55) ARPGRNR3C2NR3C1LMNA
SCHEMBL12942742 1.00 AR (0.55) ARPGRNR3C2NR3C1LMNA
SCHEMBL12942706 1.00 AR (0.55) ARPGRNR3C2NR3C1LMNA
SCHEMBL12942714 1.00 AR (0.55) ARPGRNR3C2NR3C1LMNA
SCHEMBL12942708 0.88 AR (0.41) ARPGRNR3C2NR3C1LMNA
SCHEMBL12942739 0.86 AR (0.57) ARPGRNR3C2
SCHEMBL12942781 0.86 AR (0.57) ARPGRNR3C2
SCHEMBL12942849 0.86 AR (0.57) ARPGRNR3C2
SCHEMBL16572779 0.85 AR (0.64) ARPGRNR3C2NR3C1LMNA

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
WO-2009083271-A1 15,16-METHYLENE-17-(1'-PROPENYL)-17,3'-OXIDOESTRA-4-EN-3-ONE DERIVATIVE, USE THEREOF, AND MEDICAMENT CONTAINING SAID DERIVATIVE BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-07-09 — — WO disclosed
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