SCHEMBL5500512

SCHEMBL5500512

CC(C)(C)[Si](C)(C)O[C@@H](CCCI)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.41
RIPK1 Q13546 2/20 0.34
SLC7A5 Q01650 7/20 0.33
SLC6A4 P31645 2/20 0.33
HTR2A P28223 2/20 0.31
HRH1 P35367 2/20 0.31

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
SCHEMBL21280529 0.92 CA2 (0.37) CA2RIPK1SLC6A4HTR2AHRH1
SCHEMBL8694969 0.86 CA2 (0.49) CA2SLC7A5HTR2A
SCHEMBL5734584 0.85 CA2 (0.40) CA2SLC6A4
SCHEMBL6030607 0.83 CA2 (0.37) CA2RIPK1SLC6A4HTR2AHRH1
SCHEMBL13871075 0.83 RIPK1 (0.39) CA2RIPK1SLC6A4HTR2AHRH1
SCHEMBL8789100 0.82 CA2 (0.41) CA2
SCHEMBL14984000 0.79 GSR (0.44) CA2RIPK1SLC6A4
SCHEMBL3386535 0.79 TAAR1 (0.41) CA2SLC6A4HTR2A
SCHEMBL3386536 0.79 TAAR1 (0.41) CA2SLC6A4HTR2A
SCHEMBL1739510 0.79 GSR (0.44) CA2RIPK1SLC6A4

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-1832576-A1 4-Biarylyl-1-phenolyzetidin-2-ones Microbia Inc. (US) 2007-09-12 EP disclosed
EP-1682499-B1 4-BIARYLYL-1-PHENYLAZETIDIN-2-ONES MICROBIA INC (US) 2007-08-08 EP disclosed