SCHEMBL28020839

SCHEMBL28020839

COC(=O)C=CCC(C)O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 2/20 0.50
KEAP1 Q14145 1/20 0.50
NFE2L2 Q16236 1/20 0.50
GFPT1 Q06210 1/20 0.37
CHRNB2 P17787 2/20 0.36
CHRNB4 P30926 2/20 0.36
CHRNA3 P32297 2/20 0.36
CHRNA4 P43681 2/20 0.36
TTR P02766 1/20 0.34
APP P05067 1/20 0.34
POLB P06746 1/20 0.33
RAB9A P51151 1/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
TYR P14679 1/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 1/20 0.33
CA14 Q9ULX7 1/20 0.33
PTPN1 P18031 1/20 0.33

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
SCHEMBL14552889 0.84 HCAR2 (0.52) HCAR2KEAP1NFE2L2GFPT1CHRNB2
SCHEMBL15710955 0.84 HCAR2 (0.52) HCAR2KEAP1NFE2L2GFPT1CHRNB2
SCHEMBL18294832 0.84 HCAR2 (0.52) HCAR2KEAP1NFE2L2GFPT1CHRNB2
SCHEMBL14497823 0.83 HCAR2 (0.46) HCAR2KEAP1NFE2L2GFPT1CHRNB2
SCHEMBL29096581 0.83 CHRNB2 (0.34) HCAR2CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL28292313 0.81 HCAR2 (0.48) HCAR2KEAP1NFE2L2GFPT1CHRNB2
SCHEMBL14212858 0.79 MAPT (0.50) HCAR2TTRRAB9ACA12CA1
SCHEMBL15508254 0.79 MAPT (0.50) HCAR2TTRRAB9ACA12CA1
SCHEMBL265410 0.79 MAPT (0.50) HCAR2TTRRAB9ACA12CA1
SCHEMBL21602634 0.79 HCAR2 (0.46) HCAR2KEAP1NFE2L2GFPT1CHRNB2

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
CN-104781349-A Coating composition for preventing and/or removing limescale and/or soap scum 3M INNOVATIVE PROPERTIES CO 2015-07-15 CN disclosed