SCHEMBL1877801

SCHEMBL1877801

C=CCC(/C=C/C(=O)OC)CO[Si](C)(C)C(C)(C)C

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
KEAP1 Q14145 1/20 0.32
NFE2L2 Q16236 1/20 0.32
HCAR2 Q8TDS4 1/20 0.32

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
SCHEMBL1884233 0.86
SCHEMBL1884231 0.86
SCHEMBL30894554 0.79
SCHEMBL4748246 0.79 HCAR2 (0.36) KEAP1NFE2L2HCAR2
SCHEMBL4748143 0.79 HCAR2 (0.36) KEAP1NFE2L2HCAR2
SCHEMBL8917913 0.76 CTSL (0.40)
SCHEMBL8917915 0.76 CTSL (0.40)
SCHEMBL1877802 0.74
SCHEMBL23247788 0.73 GABRP (0.34)
SCHEMBL8349584 0.71 GRIK1 (0.41)

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
US-7947738-B2 Bicyclic γ-amino acid derivative DAIICHI SANKYO COMPANY, LTD. (JP) 2011-05-24 US disclosed