SCHEMBL29084262

SCHEMBL29084262

COC(=O)C=CN(C)C.O=C1CN1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 3/20 0.43
HCAR2 Q8TDS4 2/20 0.43
KEAP1 Q14145 1/20 0.43
TSHR P16473 1/20 0.39
MAPT P10636 4/20 0.38
HPGD P15428 2/20 0.38
ALDH1A1 P00352 1/20 0.38
KMT2A Q03164 4/20 0.36
HTT P42858 1/20 0.36
LMNA P02545 2/20 0.35
TDP1 Q9NUW8 2/20 0.34
RECQL P46063 2/20 0.34
MEN1 O00255 3/20 0.34
GAA P10253 2/20 0.34
KDM4E B2RXH2 1/20 0.34
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

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
SCHEMBL1013020 0.84
SCHEMBL1406175 0.84
Acrylic Acid Methyl Ester SCHEMBL7186625 0.72 TSHR (0.40) NFE2L2HCAR2KEAP1TSHRHPGD
SCHEMBL28350812 0.72 HCAR2 (0.44) NFE2L2HCAR2KEAP1MAPTHPGD
SCHEMBL28045540 0.70 MAPT (0.56) NFE2L2HCAR2KEAP1MAPTHPGD
SCHEMBL21126429 0.68 TDP1 (0.46) NFE2L2HCAR2KEAP1MAPTHPGD
Dimethyl Maleate SCHEMBL27705208 0.67 OR51E2 (0.56) NFE2L2HCAR2KEAP1TSHRMAPT
SCHEMBL14790719 0.66 NFE2L2 (0.52) NFE2L2HCAR2KEAP1MAPTHPGD
SCHEMBL15962307 0.65
SCHEMBL21126225 0.64 KMT2A (0.56) MAPTHPGDALDH1A1KMT2AHTT

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-114736416-B Washable sun-proof emulsion and preparation method thereof 温州佳盛乳胶制品有限公司 2023-10-10 CN disclosed