SCHEMBL24674842

SCHEMBL24674842

CCOC(=O)COc1cccc([C@@H](C)NC(=O)OC(C)(C)C)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 2/20 0.46
PPARG P37231 1/20 0.46
CTSK P43235 2/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
ROCK1 Q13464 2/20 0.41
ROCK2 O75116 1/20 0.41
DYRK3 O43781 1/20 0.41
PRKACA P17612 1/20 0.41
RPS6KB1 P23443 1/20 0.41
CDK2 P24941 1/20 0.41
AKT2 P31751 1/20 0.41
GSK3A P49840 1/20 0.41
GSK3B P49841 1/20 0.41
IRAK1 P51617 1/20 0.41
PRKX P51817 1/20 0.41
CDK5 Q00535 1/20 0.41
PRKCD Q05655 1/20 0.41
PRKG2 Q13237 1/20 0.41

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
SCHEMBL29822969 1.00 PPARA (0.46) PPARAPPARGCTSKMEN1KMT2A
SCHEMBL29822879 0.87 ROCK1 (0.40) PPARAPPARGCTSKMEN1KMT2A
SCHEMBL25827038 0.87 ROCK1 (0.40) PPARAPPARGCTSKMEN1KMT2A
SCHEMBL24675715 0.87 ROCK1 (0.40) PPARAPPARGCTSKMEN1KMT2A
SCHEMBL30490858 0.87 ROCK1 (0.40) PPARAPPARGCTSKMEN1KMT2A
SCHEMBL29823058 0.86 PFKFB3 (0.45) CTSKL3MBTL1ROCK1ROCK2DYRK3
SCHEMBL24675689 0.86 LMNA (0.48) PPARGCTSKMEN1KMT2AROCK1
SCHEMBL24675580 0.86 ACACB (0.52) CTSKL3MBTL1GAAACACBACACA
SCHEMBL30916868 0.86 ACACB (0.52) CTSKL3MBTL1GAAACACBACACA
SCHEMBL30493114 0.82 CTSK (0.45) CTSKMEN1KMT2AROCK1ROCK2

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
WO-2022159688-A9 DEGRADERS OF GRK2 AND USES THEREOF SONATA THERAPEUTICS, INC. (US) 2023-09-21 WO disclosed
WO-2022159688-A1 DEGRADERS OF GRK2 AND USES THEREOF CYGNAL THERAPEUTICS, INC. (US) 2022-07-28 WO disclosed