SCHEMBL3961342

SCHEMBL3961342

COC(=O)/C=C\C(=O)OC[Si](OC)(OC)OC

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 6/20 0.54
NFE2L2 Q16236 3/20 0.54
KEAP1 Q14145 1/20 0.54
ATM Q13315 1/20 0.38
GFPT1 Q06210 1/20 0.36
MAPT P10636 3/20 0.34
ALDH1A1 P00352 3/20 0.34
KDM4E B2RXH2 2/20 0.34
TDP1 Q9NUW8 1/20 0.34
LMNA P02545 2/20 0.33
HTT P42858 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
RAB9A P51151 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
TYR P14679 1/20 0.32
CA7 P43166 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
SCHEMBL15364641 1.00 HCAR2 (0.54) HCAR2NFE2L2KEAP1ATMGFPT1
SCHEMBL3957961 1.00 HCAR2 (0.54) HCAR2NFE2L2KEAP1ATMGFPT1
SCHEMBL3963683 0.94 HCAR2 (0.42) HCAR2NFE2L2KEAP1ATMMAPT
SCHEMBL15019147 0.86 HCAR2 (0.55) HCAR2NFE2L2KEAP1ATMMAPT
SCHEMBL15019149 0.86 HCAR2 (0.55) HCAR2NFE2L2KEAP1ATMMAPT
SCHEMBL2671273 0.83 GSTP1 (0.36) HCAR2NFE2L2KEAP1ATMMAPT
SCHEMBL303066 0.83 GSTP1 (0.36) HCAR2NFE2L2KEAP1ATMMAPT
SCHEMBL15198319 0.82 HCAR2 (0.52) HCAR2NFE2L2KEAP1ATMGFPT1
SCHEMBL15364525 0.81 HCAR2 (0.56) HCAR2NFE2L2KEAP1ATMGFPT1
SCHEMBL15186432 0.81 HCAR2 (0.56) HCAR2NFE2L2KEAP1ATMGFPT1

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-2009033908-A2 MOISTURE CROSS-LINKABLE POLYMERS BASED ON ALPHA-HETEROATOM SUBSTITUTED SILANES WACKER CHEMIE AG (DE) 2009-03-19 WO disclosed