SCHEMBL28491658

SCHEMBL28491658

CC(=CCNC(=O)OC(C)(C)C)CO

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 1/20 0.46
▸ TRPV1 Q8NER1 2/20 0.41
▸ MEN1 O00255 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ HTT P42858 1/20 0.39
▸ MAOA P21397 1/20 0.37
▸ MAOB P27338 1/20 0.37
▸ CA1 P00915 3/20 0.36
▸ CA2 P00918 3/20 0.36
▸ CA12 O43570 2/20 0.36
▸ CA9 Q16790 2/20 0.36
▸ EPHX1 P07099 1/20 0.36
▸ BTN3A1 O00481 2/20 0.35
▸ PTPN11 Q06124 1/20 0.35
▸ CTSK P43235 2/20 0.34
▸ CA7 P43166 1/20 0.34
▸ TRPA1 O75762 1/20 0.34

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
SCHEMBL15592208 1.00 TDP1 (0.46) TDP1TRPV1MEN1GAAKMT2A
SCHEMBL24752941 0.86 TDP1 (0.42) TDP1TRPV1MEN1GAAKMT2A
SCHEMBL19297246 0.83 TDP1 (0.46) TDP1TRPV1MEN1GAAKMT2A
SCHEMBL16001800 0.81 TDP1 (0.44) TDP1TRPV1MEN1GAAKMT2A
SCHEMBL16001799 0.81 TDP1 (0.44) TDP1TRPV1MEN1GAAKMT2A
SCHEMBL30582985 0.81 TDP1 (0.44) TDP1TRPV1MEN1GAAKMT2A
SCHEMBL2919446 0.81 TDP1 (0.45) TDP1MEN1GAAKMT2AHTT
SCHEMBL2918000 0.81 TDP1 (0.45) TDP1MEN1GAAKMT2AHTT
SCHEMBL3749694 0.81 TDP1 (0.45) TDP1TRPV1MEN1GAAKMT2A
SCHEMBL3762915 0.81 TDP1 (0.45) TDP1TRPV1MEN1GAAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111848419-B (E) Synthesis method of (E) -4-hydroxy-3-methyl-2-butenylamine and zeatin 郑州猫眼农业科技有限公司 2021-11-23 — — CN disclosed
CN-111848419-A (E) Synthesis method of (E) -4-hydroxy-3-methyl-2-butenylamine and zeatin 郑州猫眼农业科技有限公司 2020-10-30 — — CN disclosed
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