SCHEMBL22856597

SCHEMBL22856597

CC(=O)OC[C@H]1CC[C@H](C=O)CC1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.37
JAK1 P23458 1/20 0.37
TYK2 P29597 1/20 0.37
JAK3 P52333 1/20 0.37
LMNA P02545 2/20 0.34
ALDH1A1 P00352 2/20 0.34
HSD17B10 Q99714 1/20 0.34
SLC1A3 P43003 2/20 0.34
SLC1A2 P43004 2/20 0.34
SLC1A1 P43005 2/20 0.34
NLRP3 Q96P20 2/20 0.33
PTGIR P43119 2/20 0.31
PTGDR Q13258 2/20 0.31
PDK1 Q15118 1/20 0.30
ADORA2B P29275 1/20 0.30

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
SCHEMBL13739581 1.00 JAK2 (0.37) JAK2JAK1TYK2JAK3LMNA
SCHEMBL5696892 0.87 ALDH1A1 (0.43) JAK2JAK1TYK2JAK3LMNA
SCHEMBL6256094 0.87
SCHEMBL17029138 0.87 ALDH1A1 (0.43) JAK2JAK1TYK2JAK3LMNA
SCHEMBL5682344 0.86 JAK2 (0.34) JAK2JAK1TYK2JAK3LMNA
SCHEMBL5680239 0.83 ALDH1A1 (0.35) JAK2JAK1TYK2JAK3LMNA
SCHEMBL5682481 0.82 ALDH1A1 (0.34) JAK2JAK1TYK2JAK3LMNA
SCHEMBL17444411 0.80 SLC1A3 (0.38) LMNASLC1A3SLC1A2SLC1A1PTGIR
SCHEMBL17444410 0.80 SLC1A3 (0.38) LMNASLC1A3SLC1A2SLC1A1PTGIR
SCHEMBL17449195 0.80 LMNA (0.42) JAK2JAK1TYK2JAK3LMNA

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-2020264490-A1 IRAK DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. (US) 2020-12-30 WO disclosed