SCHEMBL24675884

SCHEMBL24675884

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

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ACACB O00763 6/20 0.43
▸ CA12 O43570 3/20 0.43
▸ CA1 P00915 3/20 0.43
▸ CA2 P00918 3/20 0.43
▸ CA9 Q16790 3/20 0.43
▸ ALDH1A1 P00352 1/20 0.42
▸ HPGD P15428 1/20 0.42
▸ GAA P10253 1/20 0.42
▸ ITGB3 P05106 1/20 0.42
▸ ITGA2B P08514 1/20 0.42
▸ HRH2 P25021 4/20 0.41
▸ HRH1 P35367 4/20 0.41
▸ ACACA Q13085 3/20 0.41
▸ CTSK P43235 2/20 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
SCHEMBL24675533 0.96 ACACB (0.43) ACACBCA12CA1CA2CA9
SCHEMBL24675649 0.96 ACACB (0.43) ACACBCA12CA1CA2CA9
SCHEMBL24675698 0.90 GAA (0.47) ACACBCA12CA1CA2CA9
SCHEMBL30490965 0.89 ACACB (0.43) ACACBCA12CA1CA2CA9
SCHEMBL25829471 0.88 ROCK1 (0.41) ACACBALDH1A1HPGDGAAACACA
SCHEMBL30490950 0.88 ROCK1 (0.41) ACACBALDH1A1HPGDGAAACACA
SCHEMBL24675472 0.83 ROCK1 (0.41) ACACBALDH1A1ACACACTSK
SCHEMBL24675532 0.83 ROCK1 (0.41) ACACBALDH1A1ACACACTSK
SCHEMBL24675894 0.83 GAA (0.52) ACACBCA12CA1CA2CA9
SCHEMBL24675847 0.83 ACACB (0.48) ACACBCA12CA1CA2CA9

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 3 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-2023129564-A1 DEGRADERS OF GRK2 AND USES THEREOF CYGNAL THERAPEUTICS, INC. (US) 2023-07-06 — — WO disclosed
WO-2022159688-A1 DEGRADERS OF GRK2 AND USES THEREOF CYGNAL THERAPEUTICS, INC. (US) 2022-07-28 — — WO disclosed
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