SCHEMBL3948909

SCHEMBL3948909

COCCCOc1cc(C(=O)C(CC(Br)C2CC(C(C)C)C(=O)O2)C(C)C)ccc1OC

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
REN P00797 20/20 0.41
HTR1A P08908 2/20 0.39
ADRA1D P25100 2/20 0.39
HTR2A P28223 2/20 0.39
ADRA1A P35348 2/20 0.39
ADRA1B P35368 2/20 0.39
HTR2B P41595 2/20 0.39
KCNH2 Q12809 2/20 0.39
CYP3A4 P08684 1/20 0.39

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
SCHEMBL2440693 1.00 REN (0.41) RENHTR1AADRA1DHTR2AADRA1A
SCHEMBL2440694 1.00 REN (0.41) RENHTR1AADRA1DHTR2AADRA1A
SCHEMBL3946910 0.91 REN (0.41) RENHTR1AADRA1DHTR2AADRA1A
SCHEMBL3951966 0.90 REN (0.40) RENHTR1AADRA1DHTR2AADRA1A
SCHEMBL3944950 0.87 REN (0.40) RENHTR1AADRA1DHTR2AADRA1A
SCHEMBL6854827 0.87 REN (0.40) RENHTR1AADRA1DHTR2AADRA1A
SCHEMBL13206701 0.84 REN (0.39) RENHTR1AADRA1DHTR2AADRA1A
SCHEMBL13337107 0.84 REN (0.39) RENHTR1AADRA1DHTR2AADRA1A
SCHEMBL8196536 0.84 REN (0.39) RENHTR1AADRA1DHTR2AADRA1A
SCHEMBL6853878 0.83 REN (0.41) RENHTR1AADRA1DHTR2AADRA1A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2010480-A1 METHOD FOR THE PRODUCTION OF 8-ARYL-OCTANOYL DERIVATIVES Reuter Chemische Apparatebau KG (DE) 2009-01-07 EP disclosed
WO-2007118681-A1 METHOD FOR THE PRODUCTION OF 8-ARYL-OCTANOYL DERIVATIVES REUTER CHEMISCHER APPARATEBAU KG (DE) 2007-10-25 WO disclosed