SCHEMBL28347405

SCHEMBL28347405

COC(Br)COCCOCCOCCOCCOCCOCCOCCO

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
TSHR P16473 2/20 0.43
MAPK1 P28482 1/20 0.43
THRB P10828 1/20 0.39
HTT P42858 1/20 0.39
MAPT P10636 1/20 0.39
ALDH1A1 P00352 1/20 0.37

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
SCHEMBL29217477 1.00 MEN1 (0.48) MEN1KMT2ATSHRMAPK1THRB
SCHEMBL28034569 1.00 MEN1 (0.48) MEN1KMT2ATSHRMAPK1THRB
SCHEMBL29217473 1.00 MEN1 (0.48) MEN1KMT2ATSHRMAPK1THRB
SCHEMBL30991689 0.82 CA2 (0.31)
SCHEMBL30991698 0.82 CA2 (0.31)
SCHEMBL30991697 0.79
SCHEMBL31038071 0.79 ALDH1A1 (0.44) MEN1KMT2ATSHRMAPK1THRB
SCHEMBL2936139 0.77 MEN1 (0.52) MEN1KMT2ATSHRMAPK1THRB
SCHEMBL5531243 0.77 MEN1 (0.52) MEN1KMT2ATSHRMAPK1THRB
SCHEMBL30244896 0.77 MEN1 (0.52) MEN1KMT2ATSHRMAPK1THRB

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-107629204-B Surfactant for hydrogel type coating and preparation method thereof 中国航发北京航空材料研究院 2020-01-17 CN disclosed