SCHEMBL24850469

SCHEMBL24850469

CC1(C)CC(NC(=O)CCCl)CC(C)(C)N1O

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.45
KDM4E B2RXH2 3/20 0.45
KMT2A Q03164 2/20 0.45
MAPK8 P45983 1/20 0.40
EPHX2 P34913 2/20 0.36
MAOB P27338 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.32
HTT P42858 1/20 0.32
ALDH1A1 P00352 1/20 0.32
SIGMAR1 Q99720 2/20 0.31
HPGD P15428 1/20 0.31

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
SCHEMBL24850463 0.90 GAA (0.46) GAAKDM4EKMT2AMAPK8EPHX2
SCHEMBL4889822 0.88 GAA (0.46) GAAKDM4EKMT2AMAPK8MAOB
SCHEMBL316348 0.86 SMN1; SMN2 (0.48) GAAKDM4EKMT2AMAPK8EPHX2
SCHEMBL2302254 0.86 GAA (0.50) GAAKDM4EKMT2AMAPK8EPHX2
SCHEMBL12352252 0.84 GAA (0.50) GAAKDM4EKMT2AMAPK8MAOB
SCHEMBL6237145 0.83 ALDH1A1 (0.50) GAAKDM4EKMT2AMAPK8EPHX2
SCHEMBL23783503 0.83 GAA (0.44) GAAKDM4EKMT2AMAPK8EPHX2
SCHEMBL23793834 0.82 GNAI3 (0.44) GAAKDM4EKMT2AMAPK8EPHX2
SCHEMBL12846025 0.82 GAA (0.43) GAAKDM4EKMT2AMAPK8EPHX2
SCHEMBL7914274 0.82 GAA (0.43) GAAKDM4EKMT2AMAPK8EPHX2

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-20230006250-A1 IONIC CYCLIC NITROXYL RADICAL OLIGOMERS WISCONSIN ALUMNI RESEARCH FOUNDATION 2023-01-05 US disclosed