SCHEMBL25289836

SCHEMBL25289836

CC(C)(C)OC(=O)CCCCCOCCOCCOCCCCCCOc1ccc(CNC(=O)OC(C)(C)C)cc1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 6/20 0.49
▸ CA2 P00918 6/20 0.49
▸ CA12 O43570 5/20 0.49
▸ CA9 Q16790 5/20 0.49
▸ HDAC8 Q9BY41 1/20 0.46
▸ FAAH O00519 2/20 0.45
▸ HDAC1 Q13547 1/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.43
▸ NAMPT P43490 1/20 0.43
▸ MAPT P10636 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ GAA P10253 1/20 0.42
▸ LMNA P02545 1/20 0.42

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
SCHEMBL25258787 0.89 CA1 (0.53) CA1CA2CA12CA9HDAC8
SCHEMBL24675647 0.89 CA12 (0.49) CA1CA2CA12CA9FAAH
SCHEMBL24675764 0.87 GLS (0.47) CA1CA2CA12CA9HDAC8
SCHEMBL24675795 0.87 GLS (0.47) CA1CA2CA12CA9HDAC8
SCHEMBL19821728 0.84 CA12 (0.54) CA1CA2CA12CA9FAAH
SCHEMBL25251532 0.84 CA1 (0.53) CA1CA2CA12CA9ALDH1A1
SCHEMBL24675890 0.83 GLS (0.45) CA1CA2CA12CA9HDAC8
SCHEMBL21100866 0.82 HDAC1 (0.48) CA1CA2CA12CA9FAAH
SCHEMBL30670755 0.82 L3MBTL1 (0.51) CA1CA2CA12CA9FAAH
SCHEMBL25289842 0.82 GLS (0.46) CA1CA2CA12CA9HDAC8

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-2023129564-A9 DEGRADERS OF GRK2 AND USES THEREOF CYGNAL THERAPEUTICS, INC. (US) 2024-02-08 — — WO disclosed
WO-2023129564-A1 DEGRADERS OF GRK2 AND USES THEREOF CYGNAL THERAPEUTICS, INC. (US) 2023-07-06 — — WO disclosed
WO-2023129564-A1 DEGRADERS OF GRK2 AND USES THEREOF CYGNAL THERAPEUTICS, INC. (US) 2023-07-06 — — WO disclosed
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