SCHEMBL25034993

SCHEMBL25034993

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

nearest known ligand 0.63

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.63
MEN1 O00255 1/20 0.55
GAA P10253 1/20 0.55
KMT2A Q03164 1/20 0.55
MAOA P21397 1/20 0.44
MAOB P27338 1/20 0.44
CA1 P00915 5/20 0.42
CA2 P00918 5/20 0.42
CA12 O43570 4/20 0.42
CA9 Q16790 4/20 0.42
HTT P42858 1/20 0.42
EPHX1 P07099 1/20 0.39
KCNA5 P22460 1/20 0.38
CA7 P43166 1/20 0.38
CTSK P43235 3/20 0.38
MALT1 Q9UDY8 1/20 0.37
GPR88 Q9GZN0 1/20 0.36
CTSS P25774 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36

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
SCHEMBL4597906 0.90 TDP1 (0.57) TDP1MEN1GAAKMT2AMAOA
SCHEMBL27243560 0.85 TDP1 (0.56) TDP1MEN1GAAKMT2AMAOA
SCHEMBL27243556 0.85 TDP1 (0.56) TDP1MEN1GAAKMT2AMAOA
SCHEMBL20001957 0.85 MEN1 (0.56) TDP1MEN1GAAKMT2AMAOA
SCHEMBL29974865 0.85 MEN1 (0.56) TDP1MEN1GAAKMT2AMAOA
SCHEMBL15723437 0.85 MEN1 (0.56) TDP1MEN1GAAKMT2AMAOA
SCHEMBL16234280 0.83 MEN1 (0.54) TDP1MEN1GAAKMT2AMAOA
SCHEMBL4598805 0.82 MEN1 (0.53) TDP1MEN1GAAKMT2AMAOA
SCHEMBL18085409 0.82 MEN1 (0.66) TDP1MEN1GAAKMT2AMAOA
SCHEMBL20073977 0.81 MEN1 (0.56) TDP1MEN1GAAKMT2AMAOA

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
WO-2023017442-A1 NOVEL PLK1 DEGRADATION INDUCING COMPOUND UPPTHERA, INC. (KR) 2023-02-16 WO disclosed
WO-2023017446-A1 NOVEL PLK1 DEGRADATION INDUCING COMPOUND UPPTHERA, INC. (KR) 2023-02-16 WO disclosed