SCHEMBL13797672

SCHEMBL13797672

C[C@H]1CC2=CC(=N)CCC2C2CCC3(C)C(C4CC4[C@@]34CCCO4)C21

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ AR P10275 17/20 0.58
▸ PGR P06401 15/20 0.58
▸ NR3C2 P08235 4/20 0.41
▸ LMNA P02545 1/20 0.35
▸ ABCC4 O15439 1/20 0.35
▸ ABCB11 O95342 1/20 0.35
▸ NR3C1 P04150 1/20 0.35
▸ CHRM2 P08172 1/20 0.35
▸ HTR2A P28223 1/20 0.35
▸ HTR2B P41595 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
SCHEMBL12942851 1.00 AR (0.58) ARPGRNR3C2LMNAABCC4
SCHEMBL12942763 0.89 AR (0.58) ARPGRNR3C2LMNAABCC4
SCHEMBL12942787 0.88 AR (0.74) ARPGRNR3C2LMNA
SCHEMBL12942799 0.88 AR (0.74) ARPGRNR3C2LMNA
SCHEMBL12942813 0.88 AR (0.60) ARPGRNR3C2LMNAABCC4
SCHEMBL12942854 0.86 AR (0.44) ARPGRNR3C2
SCHEMBL12942812 0.85 PGR (0.56) ARPGRNR3C2LMNAABCB11
SCHEMBL12998916 0.83 AR (0.82) ARPGRNR3C2LMNAABCC4
SCHEMBL12942815 0.83 AR (0.46) ARPGRNR3C2LMNAABCC4
SCHEMBL15417408 0.80 AR (0.52) 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
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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