SCHEMBL24675682

SCHEMBL24675682

C[C@@H](NC(=O)OC(C)(C)C)c1ccc(OCC=O)cc1

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ACACB O00763 14/20 0.48
CTSK P43235 2/20 0.44
ABCB1 P08183 1/20 0.43
ACACA Q13085 1/20 0.42
HPGD P15428 1/20 0.41
LMNA P02545 1/20 0.41
GPR88 Q9GZN0 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
SCHEMBL24675683 1.00 ACACB (0.48) ACACBCTSKABCB1ACACAHPGD
SCHEMBL24675658 0.86 ACACB (0.49) ACACBCTSKACACAHPGD
SCHEMBL24675892 0.86 ACACB (0.49) ACACBCTSKACACAHPGD
SCHEMBL24675673 0.85 CTSK (0.43) CTSKACACALMNA
SCHEMBL31737995 0.85 CTSK (0.47) CTSKGPR88
SCHEMBL24675529 0.83 ACACB (0.53) ACACBCTSKACACAHPGD
SCHEMBL27225866 0.83 ALDH1A1 (0.54) ACACBCTSK
SCHEMBL24675528 0.83 ACACB (0.53) ACACBCTSKACACAHPGD
SCHEMBL13920480 0.82 ACACB (0.51) ACACBCTSKABCB1ACACAHPGD
SCHEMBL29023015 0.82 ACACB (0.49) ACACBCTSKACACAHPGD

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