SCHEMBL1229787

SCHEMBL1229787

CCCCCCOCCOCCN(CCC[Si](OCC)(OCC)OCC)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ZDHHC20 Q5W0Z9 1/20 0.41
MEN1 O00255 1/20 0.38
THRB P10828 1/20 0.38
HTT P42858 1/20 0.38
KMT2A Q03164 1/20 0.38
MAPT P10636 1/20 0.38
CES2 O00748 2/20 0.36
NAAA Q02083 1/20 0.31
EPHX2 P34913 3/20 0.31
HCAR2 Q8TDS4 1/20 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
SCHEMBL28471594 0.89 ALDH1A1 (0.33)
SCHEMBL28900909 0.89 ALDH1A1 (0.33)
SCHEMBL28484647 0.86 BLM (0.30)
SCHEMBL27093071 0.86 BLM (0.30)
SCHEMBL3796353 0.86 ZDHHC20 (0.43) ZDHHC20MEN1THRBHTTKMT2A
SCHEMBL3871697 0.86 BLM (0.30)
SCHEMBL7061683 0.84 CA12 (0.40) HTTMAPT
SCHEMBL28036839 0.81 CA12 (0.34)
SCHEMBL4359796 0.81 CA12 (0.31)
SCHEMBL16367157 0.78 HTT (0.50) MEN1THRBHTTKMT2AMAPT

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-20110039990-A1 REACTIVE SURFACE-MODIFIED PARTICLES MERCK PATENT GESELLSCHAFT (DE) 2011-02-17 US disclosed