SCHEMBL28058968

SCHEMBL28058968

COC(=O)/C=C(\C)C(=O)OBr

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 2/20 0.42
KEAP1 Q14145 1/20 0.42
NFE2L2 Q16236 1/20 0.42
ALDH1A1 P00352 3/20 0.35
SMN1; SMN2 Q16637 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
TSHR P16473 2/20 0.32
ALOX15 P16050 1/20 0.31
RECQL P46063 1/20 0.31
HSD17B10 Q99714 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
SCHEMBL7771274 0.85 HCAR2 (0.46) HCAR2KEAP1NFE2L2ALDH1A1SMN1; SMN2
SCHEMBL774085 0.85 HCAR2 (0.46) HCAR2KEAP1NFE2L2ALDH1A1SMN1; SMN2
SCHEMBL5953576 0.85 HCAR2 (0.46) HCAR2KEAP1NFE2L2ALDH1A1SMN1; SMN2
Fluoride SCHEMBL28064852 0.83 HCAR2 (0.43) HCAR2KEAP1NFE2L2ALDH1A1SMN1; SMN2
Ammonia Solution, Strong SCHEMBL21219109 0.83 HCAR2 (0.43) HCAR2KEAP1NFE2L2ALDH1A1SMN1; SMN2
SCHEMBL9567808 0.83 HCAR2 (0.43) HCAR2KEAP1NFE2L2ALDH1A1SMN1; SMN2
Ammonia Solution, Strong SCHEMBL6291855 0.83 HCAR2 (0.43) HCAR2KEAP1NFE2L2ALDH1A1SMN1; SMN2
SCHEMBL14225485 0.82 HCAR2 (0.53) HCAR2KEAP1NFE2L2ALDH1A1SMN1; SMN2
SCHEMBL27949283 0.79 HCAR2 (0.40) HCAR2KEAP1NFE2L2ALDH1A1SMN1; SMN2
SCHEMBL27360781 0.79 HCAR2 (0.40) HCAR2KEAP1NFE2L2ALDH1A1SMN1; SMN2

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-105484022-A Dyeing and finishing process for blended fabric CHANGSHU DATANG WANGZI CLOTHING FACTORY 2016-04-13 CN disclosed