SCHEMBL17175408

SCHEMBL17175408

CCCCOC(=O)N[C@H](CO)CCNC(=O)OC(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.46
▸ GAA P10253 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ TDP1 Q9NUW8 1/20 0.44
▸ CA12 O43570 2/20 0.44
▸ CA1 P00915 2/20 0.44
▸ CA2 P00918 2/20 0.44
▸ CA9 Q16790 2/20 0.44
▸ ACHE P22303 14/20 0.43
▸ CTSS P25774 1/20 0.41
▸ CTSK P43235 1/20 0.41
▸ SYK P43405 1/20 0.40

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
SCHEMBL17175339 0.89 MEN1 (0.45) MEN1GAAKMT2ATDP1CA12
SCHEMBL12954841 0.85 MEN1 (0.53) MEN1GAAKMT2ATDP1CA12
SCHEMBL29325753 0.85 MEN1 (0.53) MEN1GAAKMT2ATDP1CA12
SCHEMBL17175340 0.83 MEN1 (0.40) MEN1GAAKMT2ATDP1CA12
SCHEMBL17175341 0.83 MEN1 (0.40) MEN1GAAKMT2ATDP1CA12
SCHEMBL17175406 0.82 MEN1 (0.52) MEN1GAAKMT2ATDP1CA12
SCHEMBL8322165 0.80 EPHX1 (0.44) ACHE
SCHEMBL12666362 0.79 MEN1 (0.62) MEN1GAAKMT2ATDP1CA12
SCHEMBL19301024 0.79 MEN1 (0.62) MEN1GAAKMT2ATDP1CA12
SCHEMBL7730493 0.79 MEN1 (0.62) MEN1GAAKMT2ATDP1CA12

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
WO-2015157057-A1 MACROCYCLES LUMIPHORE, INC (US) 2015-10-15 — — WO disclosed
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