SCHEMBL30484368

SCHEMBL30484368

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

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BTK Q06187 2/20 0.64
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
GAA P10253 2/20 0.44
KMT2A Q03164 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
EPHX1 P07099 2/20 0.43
CTSK P43235 2/20 0.43
KDM1A O60341 1/20 0.40
MAOB P27338 1/20 0.40
NFKB1 P19838 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
CYP2C9 P11712 1/20 0.39
HSD11B1 P28845 1/20 0.39
EPHX2 P34913 1/20 0.37
JAK3 P52333 1/20 0.36
DRD2 P14416 2/20 0.36
HDAC4 P56524 1/20 0.36
HDAC1 Q13547 1/20 0.36

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
SCHEMBL25516662 1.00 BTK (0.64) BTKCA1CA2GAAKMT2A
SCHEMBL26451535 1.00 BTK (0.64) BTKCA1CA2GAAKMT2A
SCHEMBL26451532 1.00 BTK (0.64) BTKCA1CA2GAAKMT2A
SCHEMBL14941235 1.00 BTK (0.64) BTKCA1CA2GAAKMT2A
SCHEMBL23819397 0.91 BTK (0.55) BTKCA1CA2GAAKMT2A
SCHEMBL14941189 0.91 BTK (0.55) BTKCA1CA2GAAKMT2A
SCHEMBL3901035 0.91 BTK (0.55) BTKCA1CA2GAAKMT2A
SCHEMBL15584728 0.91 BTK (0.55) BTKCA1CA2GAAKMT2A
SCHEMBL13639056 0.91 BTK (0.55) BTKCA1CA2GAAKMT2A
SCHEMBL13920528 0.85 BTK (0.51) BTKCA1CA2GAAKMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4419504-A1 KDM1A INHIBITORS FOR THE TREATMENT OF DISEASE Imago Biosciences Inc. (US) 2024-08-28 EP disclosed
WO-2023069884-A1 KDM1A INHIBITORS FOR THE TREATMENT OF DISEASE IMAGO BIOSCIENCES, INC. (US) 2023-04-27 WO disclosed