SCHEMBL21396771

SCHEMBL21396771

CCCCC(O)CCNC(=O)OC(C)(C)C

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.55
GAA P10253 1/20 0.55
KMT2A Q03164 1/20 0.55
TDP1 Q9NUW8 1/20 0.50
CTSK P43235 11/20 0.48
CTSS P25774 1/20 0.48
MAOA P21397 1/20 0.44
MAOB P27338 1/20 0.44
CA12 O43570 2/20 0.42
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
CA9 Q16790 2/20 0.42

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
SCHEMBL16917206 0.90 MEN1 (0.54) MEN1GAAKMT2ATDP1CTSK
SCHEMBL16622956 0.90 MEN1 (0.54) MEN1GAAKMT2ATDP1CTSK
SCHEMBL5019057 0.90 MEN1 (0.61) MEN1GAAKMT2ATDP1CTSK
SCHEMBL6327615 0.87 MEN1 (0.64) MEN1GAAKMT2ATDP1CTSK
SCHEMBL27685460 0.85 CTSK (0.49) MEN1GAAKMT2ATDP1CTSK
SCHEMBL23690865 0.85 MEN1 (0.56) MEN1GAAKMT2ATDP1CTSK
SCHEMBL17452213 0.85 MEN1 (0.56) MEN1GAAKMT2ATDP1CTSK
SCHEMBL22433494 0.85 MEN1 (0.56) MEN1GAAKMT2ATDP1CTSK
SCHEMBL17150407 0.83 MEN1 (0.77) MEN1GAAKMT2ATDP1CTSK
SCHEMBL1654726 0.83 MEN1 (0.54) MEN1GAAKMT2ATDP1CTSK

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
US-10859585-B2 Lipid probes and uses thereof THE SCRIPPS RESEARCH INSTITUTE (US) 2020-12-08 US disclosed
US-20190293666-A1 LIPID PROBES AND USES THEREOF SCRIPPS RESEARCH INST (US) 2019-09-26 US disclosed