SCHEMBL23562128

SCHEMBL23562128

CC(C)(C)OC(=O)N[C@@H]1CC(CC(=O)O)C2CC1C2

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BTK Q06187 1/20 0.42
KDM1A O60341 2/20 0.39
MAOB P27338 2/20 0.38
MAOA P21397 1/20 0.38
NFKB1 P19838 1/20 0.37
NFKB2 Q00653 1/20 0.37
RELA Q04206 1/20 0.37
KMT2A Q03164 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
GAA P10253 1/20 0.35
EPHX1 P07099 1/20 0.35
SLC6A12 P48065 2/20 0.34
SLC6A11 P48066 2/20 0.34
SLC6A13 Q9NSD5 2/20 0.34
CTSK P43235 2/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 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
SCHEMBL2775457 0.89 BTK (0.45) BTKKDM1AMAOBMAOANFKB1
SCHEMBL2775460 0.89 BTK (0.45) BTKKDM1AMAOBMAOANFKB1
SCHEMBL24337067 0.84 BTK (0.41) BTKKDM1AMAOBMAOANFKB1
SCHEMBL22616376 0.84 BTK (0.47) BTKKDM1AMAOBMAOANFKB1
SCHEMBL31566189 0.84 BTK (0.47) BTKKDM1AMAOBMAOANFKB1
SCHEMBL25319491 0.81 BTK (0.44) BTKKDM1AMAOBMAOANFKB1
SCHEMBL27870919 0.81 BTK (0.44) BTKKDM1AMAOBMAOANFKB1
SCHEMBL21504129 0.79 CTSK (0.41) BTKKDM1AMAOBMAOANFKB1
SCHEMBL26039089 0.79 KDM1A (0.40) BTKKDM1AMAOBMAOANFKB1
SCHEMBL26783002 0.79 CTSK (0.41) BTKKDM1AMAOBMAOANFKB1

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-2021127303-A1 PROGRANULIN MODULATORS AND METHODS OF USING THE SAME ARKUDA THERAPEUTICS (US) 2021-06-24 WO disclosed