SCHEMBL23905245

SCHEMBL23905245

CCC(C)(CN)CC(C)(CC)CCNC(=O)OC(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.44
MAOA P21397 1/20 0.42
MAOB P27338 1/20 0.42
MEN1 O00255 1/20 0.42
GAA P10253 1/20 0.42
KMT2A Q03164 1/20 0.42
CA1 P00915 8/20 0.38
CA2 P00918 8/20 0.38
CA12 O43570 7/20 0.38
CA9 Q16790 7/20 0.38
EPHX1 P07099 1/20 0.38
PTPRB P23467 1/20 0.35
HTT P42858 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
ALDH1A1 P00352 1/20 0.34
GFER P55789 1/20 0.34

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
SCHEMBL15833643 0.84 TDP1 (0.39) TDP1MAOAMAOBMEN1GAA
SCHEMBL21415441 0.80 TDP1 (0.38) TDP1MAOAMAOBMEN1GAA
SCHEMBL23682364 0.78 MEN1 (0.42) TDP1MAOAMAOBMEN1GAA
SCHEMBL21687305 0.78 TDP1 (0.50) TDP1MAOAMAOBMEN1GAA
SCHEMBL23905247 0.76 TDP1 (0.47) TDP1MAOAMAOBMEN1GAA
SCHEMBL12934642 0.76 CA1 (0.34) TDP1MAOAMAOBMEN1GAA
SCHEMBL21687368 0.75 TDP1 (0.53) TDP1MAOAMAOBMEN1GAA
SCHEMBL24728902 0.74 MEN1 (0.41) TDP1MAOAMAOBMEN1GAA
SCHEMBL5052626 0.74 TDP1 (0.49) TDP1MAOAMAOBMEN1GAA
SCHEMBL22144571 0.74 TDP1 (0.38) TDP1MAOAMAOBMEN1GAA

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-2021201577-A1 HMG-COA REDUCTASE DEGRADATION INDUCING COMPOUND UPPTHERA (KR) 2021-10-07 WO disclosed