SCHEMBL28913072

SCHEMBL28913072

CC(C)(C)OC(=O)NC1CCC(C(=O)NNC(=O)O)CC1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BTK Q06187 1/20 0.52
KDM1A O60341 1/20 0.46
MAOB P27338 1/20 0.46
GAA P10253 2/20 0.44
CTSK P43235 2/20 0.43
EPHX1 P07099 2/20 0.40
KMT2A Q03164 2/20 0.40
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
DRD2 P14416 4/20 0.39
KCNA3 P22001 1/20 0.38
DRD3 P35462 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
SCHEMBL28913076 1.00 BTK (0.52) BTKKDM1AMAOBGAACTSK
SCHEMBL30216251 0.88 BTK (0.49) BTKKDM1AMAOBGAACTSK
SCHEMBL15805658 0.87 BTK (0.48) BTKKDM1AMAOBGAACTSK
SCHEMBL982185 0.85 BTK (0.55) BTKKDM1AMAOBGAACTSK
SCHEMBL982187 0.85 BTK (0.55) BTKKDM1AMAOBGAACTSK
SCHEMBL29988140 0.84 BTK (0.46) BTKKDM1AMAOBGAACTSK
SCHEMBL29518936 0.83 BTK (0.45) BTKKDM1AMAOBGAACTSK
SCHEMBL21707307 0.83 BTK (0.45) BTKKDM1AMAOBGAACTSK
SCHEMBL25326419 0.83 BTK (0.53) BTKKDM1AMAOBGAACTSK
SCHEMBL31334748 0.83 BTK (0.53) BTKKDM1AMAOBGAACTSK

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-115315423-A Substituted aryl compounds 先声药业有限公司 2022-11-08 CN disclosed