SCHEMBL23567937

SCHEMBL23567937

CC(C)COC[C@@H]1CN(CCCS)CCO1

nearest known ligand 0.35

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PDK1 Q15118 3/20 0.35
DRD4 P21917 7/20 0.34
HRH3 Q9Y5N1 5/20 0.33
ALDH1A1 P00352 1/20 0.32

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
SCHEMBL23568906 1.00 PDK1 (0.35) PDK1DRD4HRH3ALDH1A1
SCHEMBL22856298 0.89 PDK1 (0.36) PDK1DRD4HRH3ALDH1A1
SCHEMBL21107633 0.89 PDK1 (0.36) PDK1DRD4HRH3ALDH1A1
SCHEMBL21106060 0.89 PDK1 (0.36) PDK1DRD4HRH3ALDH1A1
SCHEMBL22802807 0.88 ALDH1A1 (0.41) PDK1DRD4HRH3ALDH1A1
SCHEMBL24508708 0.88 ALDH1A1 (0.41) PDK1DRD4HRH3ALDH1A1
SCHEMBL22802803 0.88 ALDH1A1 (0.41) PDK1DRD4HRH3ALDH1A1
SCHEMBL24379939 0.86 ALDH1A1 (0.40) PDK1DRD4HRH3ALDH1A1
SCHEMBL25883265 0.86 ALDH1A1 (0.40) PDK1DRD4HRH3ALDH1A1
SCHEMBL23560447 0.85 PDK1 (0.49) PDK1DRD4HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023192586-A1 IRAK DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. (US) 2023-10-05 WO disclosed
WO-2022125790-A1 IRAK DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. (US) 2022-06-16 WO disclosed
WO-2021127190-A1 IRAK DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. (US) 2021-06-24 WO disclosed