SCHEMBL29066432

SCHEMBL29066432

CC(C)(C)OC(=O)N[C@H]1C[C@@H](N2CCOCC2)C1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSK P43235 3/20 0.46
BTK Q06187 1/20 0.46
USP2 O75604 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
GAA P10253 1/20 0.44
KMT2A Q03164 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CYP2C9 P11712 1/20 0.41
HSD11B1 P28845 1/20 0.41
PIK3R1 P27986 1/20 0.41
PIK3CA P42336 1/20 0.41
RECQL P46063 1/20 0.40
CTSD P07339 1/20 0.40
CTSL P07711 1/20 0.40
CTSB P07858 1/20 0.40
CTSS P25774 1/20 0.40
KDM1A O60341 1/20 0.38
MAOB P27338 1/20 0.38

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
SCHEMBL10102987 1.00 CTSK (0.46) CTSKBTKUSP2SMN1; SMN2GAA
SCHEMBL28851225 1.00 CTSK (0.46) CTSKBTKUSP2SMN1; SMN2GAA
SCHEMBL29629085 0.90 BTK (0.49) CTSKBTKUSP2SMN1; SMN2GAA
SCHEMBL1957109 0.88 CTSK (0.47) CTSKBTKUSP2SMN1; SMN2GAA
SCHEMBL1699991 0.88 CTSK (0.47) CTSKBTKUSP2SMN1; SMN2GAA
SCHEMBL880564 0.88 CTSK (0.47) CTSKBTKUSP2SMN1; SMN2GAA
SCHEMBL21166305 0.86 GAA (0.42) CTSKBTKUSP2SMN1; SMN2GAA
SCHEMBL12714581 0.86 BTK (0.53) CTSKBTKGAAKMT2AL3MBTL1
SCHEMBL31327089 0.84 CTSK (0.51) CTSKBTKGAAKMT2AL3MBTL1
SCHEMBL13497425 0.83 CTSK (0.47) CTSKBTKGAAKMT2AL3MBTL1

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
CN-115109032-B Quinoline derivative and application thereof in medicine 成都百裕制药股份有限公司 2023-09-05 CN disclosed