SCHEMBL28292313

SCHEMBL28292313

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 2/20 0.48
NFE2L2 Q16236 2/20 0.48
KEAP1 Q14145 1/20 0.48
GFPT1 Q06210 1/20 0.36
TTR P02766 1/20 0.33
APP P05067 1/20 0.33
POLB P06746 1/20 0.33
RAB9A P51151 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
CA9 Q16790 1/20 0.32
CA14 Q9ULX7 1/20 0.32
PTPN1 P18031 1/20 0.32
ALDH1A1 P00352 3/20 0.32
ALOX15 P16050 1/20 0.32
RECQL P46063 1/20 0.32
HSD17B10 Q99714 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
SCHEMBL28020839 0.81 HCAR2 (0.50) HCAR2NFE2L2KEAP1GFPT1TTR
SCHEMBL27995716 0.80 HCAR2 (0.44) HCAR2NFE2L2KEAP1GFPT1TTR
SCHEMBL15710955 0.78 HCAR2 (0.52) HCAR2NFE2L2KEAP1GFPT1TTR
SCHEMBL18294832 0.78 HCAR2 (0.52) HCAR2NFE2L2KEAP1GFPT1TTR
SCHEMBL14552889 0.78 HCAR2 (0.52) HCAR2NFE2L2KEAP1GFPT1TTR
SCHEMBL14497823 0.78 HCAR2 (0.46) HCAR2NFE2L2KEAP1GFPT1TTR
Ammonia Solution, Strong SCHEMBL27555205 0.75 HCAR2 (0.43) HCAR2NFE2L2KEAP1GFPT1TTR
SCHEMBL21602634 0.73 HCAR2 (0.46) HCAR2NFE2L2KEAP1GFPT1TTR
SCHEMBL26759885 0.73 HCAR2 (0.41) HCAR2NFE2L2KEAP1GFPT1TTR
SCHEMBL7695856 0.73

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109715879-A The not fluorine-containing water-borne dispersions arranged for textile fabric 亨茨曼纺织货品(德国)有限责任公司 2019-05-03 CN claimed
CN-109715879-A The not fluorine-containing water-borne dispersions arranged for textile fabric 亨茨曼纺织货品(德国)有限责任公司 2019-05-03 CN disclosed
CN-109715879-A The not fluorine-containing water-borne dispersions arranged for textile fabric 亨茨曼纺织货品(德国)有限责任公司 2019-05-03 CN disclosed