SCHEMBL24675647

SCHEMBL24675647

CC(C)(C)OC(=O)COCCCOCCCCCOc1ccc(CNC(=O)OC(C)(C)C)cc1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 5/20 0.49
▸ CA1 P00915 5/20 0.49
▸ CA2 P00918 5/20 0.49
▸ CA9 Q16790 5/20 0.49
▸ FAAH O00519 6/20 0.45
▸ HDAC1 Q13547 1/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ MAPT P10636 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ SUCNR1 Q9BXA5 2/20 0.42
▸ ITGB3 P05106 1/20 0.41
▸ ITGA2B P08514 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
SCHEMBL25250315 0.89 CA1 (0.53) CA12CA1CA2CA9SUCNR1
SCHEMBL25289836 0.89 CA1 (0.49) CA12CA1CA2CA9FAAH
SCHEMBL25249150 0.87 GLS (0.43) CA12CA1CA2CA9FAAH
SCHEMBL30490842 0.87 GLS (0.43) CA12CA1CA2CA9FAAH
SCHEMBL30490969 0.83 CA12 (0.42) CA12CA1CA2CA9FAAH
SCHEMBL24675738 0.83 CA12 (0.42) CA12CA1CA2CA9FAAH
SCHEMBL19821728 0.82 CA12 (0.54) CA12CA1CA2CA9FAAH
SCHEMBL10227120 0.81 FAAH (0.64) CA12CA1CA2CA9FAAH
SCHEMBL7385615 0.81 CA1 (0.54) CA12CA1CA2CA9FAAH
SCHEMBL30490965 0.80 ACACB (0.43) CA12CA1CA2CA9ITGB3

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 5 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-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-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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