SCHEMBL8079301

SCHEMBL8079301

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

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.38
MAOA P21397 1/20 0.37
MAOB P27338 1/20 0.37
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
GAA P10253 1/20 0.33
CA1 P00915 8/20 0.33
CA2 P00918 7/20 0.33
CA12 O43570 6/20 0.33
CA9 Q16790 5/20 0.33
ALDH1A1 P00352 1/20 0.32
TSHR P16473 1/20 0.32
EPHX1 P07099 1/20 0.30
CTSS P25774 1/20 0.30
CTSK P43235 1/20 0.30
CA7 P43166 1/20 0.30
CA14 Q9ULX7 1/20 0.30
APLNR P35414 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
SCHEMBL1215411 0.84 TDP1 (0.45) TDP1MAOAMAOBMEN1KMT2A
SCHEMBL22144571 0.82 TDP1 (0.38) TDP1MAOAMAOBMEN1KMT2A
SCHEMBL26000975 0.79 TDP1 (0.42) TDP1MAOAMAOBMEN1KMT2A
SCHEMBL17304512 0.78 CTSD (0.39) ALDH1A1
SCHEMBL22604590 0.78 TDP1 (0.47) TDP1MAOAMAOBMEN1KMT2A
SCHEMBL23584009 0.78 TDP1 (0.39) TDP1MAOAMAOBMEN1KMT2A
SCHEMBL15833643 0.78 TDP1 (0.39) TDP1MAOAMAOBMEN1KMT2A
SCHEMBL21415441 0.77 TDP1 (0.38) TDP1MAOAMAOBMEN1KMT2A
SCHEMBL10049407 0.71 TDP1 (0.47) TDP1MAOAMAOBMEN1KMT2A
SCHEMBL17304513 0.71 CTSD (0.42) TDP1MAOAMAOBGAAALDH1A1

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
WO-2009026701-A1 SIRTUIN INHIBITORS METHYLGENE INC. (CA) 2009-03-05 WO disclosed