SCHEMBL24674856

SCHEMBL24674856

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

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CA12 O43570 5/20 0.46
CA1 P00915 5/20 0.46
CA2 P00918 5/20 0.46
CA9 Q16790 5/20 0.46
ACACB O00763 7/20 0.45
ITGB3 P05106 1/20 0.44
ITGA2B P08514 1/20 0.44
CTSK P43235 2/20 0.43
ACACA Q13085 3/20 0.42
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42
GAA P10253 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 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
SCHEMBL24675687 1.00 CA12 (0.46) CA12CA1CA2CA9ACACB
SCHEMBL24675212 0.87 ROCK1 (0.42) CA12CA1CA2CA9ACACB
SCHEMBL24675847 0.83 ACACB (0.48) CA12CA1CA2CA9ACACB
SCHEMBL24675845 0.83 ACACB (0.48) CA12CA1CA2CA9ACACB
SCHEMBL24674884 0.83 ACACB (0.48) CA12CA1CA2CA9ACACB
SCHEMBL24675529 0.83 ACACB (0.53) ACACBITGB3ITGA2BCTSKACACA
SCHEMBL24675528 0.83 ACACB (0.53) ACACBITGB3ITGA2BCTSKACACA
SCHEMBL13920480 0.82 ACACB (0.51) ACACBITGB3ITGA2BCTSKACACA
SCHEMBL29023015 0.82 ACACB (0.49) CA12CA1CA2CA9ACACB
SCHEMBL24675658 0.81 ACACB (0.49) CA12CA1CA2CA9ACACB

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