SCHEMBL29200722

SCHEMBL29200722

CC(C)CCCC(C)(C)Br

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.47
CYP3A4 P08684 1/20 0.47
ALOX15 P16050 1/20 0.47
KMT2A Q03164 1/20 0.47
LMNA P02545 1/20 0.39
BLM P54132 1/20 0.33
PTPN2 P17706 1/20 0.32
PTPN1 P18031 1/20 0.32
CDC25B P30305 1/20 0.32
ALDH1A1 P00352 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
SCHEMBL30699882 0.82
SCHEMBL4214647 0.78 MEN1 (0.47) MEN1CYP3A4ALOX15KMT2ALMNA
SCHEMBL598576 0.77 MEN1 (0.45) MEN1CYP3A4ALOX15KMT2ALMNA
SCHEMBL28621256 0.76 MEN1 (0.50) MEN1CYP3A4ALOX15KMT2ALMNA
SCHEMBL81885 0.74 ALDH1A1 (0.50) MEN1CYP3A4ALOX15KMT2ALMNA
SCHEMBL8618138 0.74 MEN1 (0.44) MEN1CYP3A4ALOX15KMT2ALMNA
SCHEMBL17607612 0.74 MEN1 (0.44) MEN1CYP3A4ALOX15KMT2ALMNA
SCHEMBL4692345 0.72 CYP3A4 (0.42) MEN1CYP3A4ALOX15KMT2ALMNA
SCHEMBL8212898 0.72 MEN1 (0.47) MEN1CYP3A4ALOX15KMT2ALMNA
SCHEMBL18723208 0.72 MEN1 (0.42) MEN1CYP3A4ALOX15KMT2ALMNA

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-117659080-A Synthesis method of chiral alpha-aryl-beta-alkyl phosphate 南京工业大学 2024-03-08 CN disclosed