SCHEMBL29601414

SCHEMBL29601414

C=CCC(CNC(=O)OC(C)(C)C)CC(=O)O

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.41
GAA P10253 1/20 0.41
KMT2A Q03164 1/20 0.41
SYK P43405 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
CTSK P43235 6/20 0.35
CTSS P25774 4/20 0.35
CTSL P07711 1/20 0.35
CTSB P07858 1/20 0.35
MAPT P10636 1/20 0.34
SERPINE1 P05121 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
ADRB2 P07550 1/20 0.33
HTR1A P08908 1/20 0.33
AAK1 Q2M2I8 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33

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
SCHEMBL6131636 0.89 MEN1 (0.42) MEN1GAAKMT2ASYKTDP1
SCHEMBL31072227 0.86 MEN1 (0.49) MEN1GAAKMT2ASYKTDP1
SCHEMBL13906658 0.86 MEN1 (0.49) MEN1GAAKMT2ASYKTDP1
SCHEMBL22644797 0.82 MEN1 (0.41) MEN1GAAKMT2ASYKTDP1
SCHEMBL4817282 0.82 TDP1 (0.43) MEN1GAAKMT2ASYKTDP1
SCHEMBL10309116 0.81 MEN1 (0.45) MEN1GAAKMT2ASYKTDP1
SCHEMBL5725026 0.80 MEN1 (0.44) MEN1GAAKMT2ASYKTDP1
SCHEMBL5725021 0.80 MEN1 (0.44) MEN1GAAKMT2ASYKTDP1
SCHEMBL12896244 0.79 CTSS (0.49) MEN1GAAKMT2ASYKTDP1
SCHEMBL21210185 0.79 KMT2A (0.46) MEN1GAAKMT2ASYKTDP1

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
EP-4004004-A1 ARGINASE INHIBITORS AND METHODS OF USE THEREOF AstraZeneca AB (SE) 2022-06-01 EP disclosed