SCHEMBL29957057

SCHEMBL29957057

CC(C)(C#CC=O)NC(=O)OC(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSK P43235 5/20 0.37
DGAT1 O75907 1/20 0.35
TDP1 Q9NUW8 1/20 0.33
MAOA P21397 1/20 0.32
MAOB P27338 1/20 0.32
CA1 P00915 2/20 0.32
CA7 P43166 2/20 0.32
CA2 P00918 1/20 0.32
AKT1 P31749 1/20 0.31
MAPK10 P53779 1/20 0.31
MIF P14174 1/20 0.31
MEN1 O00255 1/20 0.31
GAA P10253 1/20 0.31
KMT2A Q03164 1/20 0.31
KDM4E B2RXH2 1/20 0.31
CTSS P25774 2/20 0.30
NPC1 O15118 1/20 0.30
RECQL P46063 1/20 0.30
RAB9A P51151 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL14282687 0.80 CTSK (0.41) CTSKDGAT1TDP1CA1CA7
SCHEMBL30154343 0.76 MEN1 (0.35) CTSKDGAT1TDP1CA1CA7
SCHEMBL6292986 0.74 TDP1 (0.37) CTSKDGAT1TDP1CA1CA7
SCHEMBL25874746 0.73 CTSK (0.32) CTSKDGAT1TDP1CA1CA7
SCHEMBL2187338 0.72 NPC1 (0.36) CTSKDGAT1TDP1CA1CA7
SCHEMBL2911305 0.72 CTSS (0.40) CTSKDGAT1TDP1MEN1KMT2A
SCHEMBL2558818 0.70 PTPN11 (0.44) CTSKDGAT1TDP1MAOAMAOB
SCHEMBL293062 0.70 CTSK (0.40) CTSKDGAT1TDP1MAOAMAOB
SCHEMBL10883543 0.68 CTSK (0.39) CTSKDGAT1TDP1MAOAMAOB
SCHEMBL132657 0.68 DGAT1 (0.42) CTSKDGAT1TDP1CA1CA7

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
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed