SCHEMBL24674847

SCHEMBL24674847

CC(C)(C)OC(=O)NCc1cccc(OCC=O)c1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GLS O94925 3/20 0.46
BRD4 O60885 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.43
ALDH1A1 P00352 1/20 0.43
HTT P42858 1/20 0.43
MMP13 P45452 1/20 0.43
KDM4A O75164 1/20 0.43
CREBBP Q92793 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
KDM4E B2RXH2 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 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
SCHEMBL24674846 0.84 ROCK2 (0.47) GLSBRD4SMN1; SMN2ALDH1A1HTT
SCHEMBL694491 0.83 GLS (0.56) GLSBRD4KDM4ACREBBPL3MBTL1
SCHEMBL3418637 0.83 ALDH1A1 (0.62) SMN1; SMN2ALDH1A1HTTMMP13L3MBTL1
SCHEMBL20946412 0.82 MAPT (0.47) GLSBRD4ALDH1A1HTTL3MBTL1
SCHEMBL23461821 0.82 ROCK2 (0.49) GLSBRD4SMN1; SMN2ALDH1A1HTT
SCHEMBL29996911 0.82 ROCK2 (0.49) GLSBRD4SMN1; SMN2ALDH1A1HTT
SCHEMBL28246608 0.81 CYP3A4 (0.49) GLSBRD4SMN1; SMN2ALDH1A1HTT
SCHEMBL19553568 0.81 KCNA5 (0.45) GLSBRD4L3MBTL1
SCHEMBL24674845 0.80 PPARA (0.56) GLSBRD4SMN1; SMN2MMP13
SCHEMBL24675183 0.80 ROCK2 (0.49) GLSBRD4KDM4E

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