SCHEMBL24675890

SCHEMBL24675890

CC(C)(C)OC(=O)CCOCCOCCOCCCCCCOc1cccc(CNC(=O)OC(C)(C)C)c1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ GLS O94925 3/20 0.45
▸ CA12 O43570 2/20 0.41
▸ CA1 P00915 2/20 0.41
▸ CA2 P00918 2/20 0.41
▸ CA9 Q16790 2/20 0.41
▸ EPHX2 P34913 2/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ HDAC3 O15379 1/20 0.41
▸ HDAC1 Q13547 1/20 0.41
▸ HDAC2 Q92769 1/20 0.41
▸ HDAC10 Q969S8 1/20 0.41
▸ HDAC11 Q96DB2 1/20 0.41
▸ HDAC8 Q9BY41 1/20 0.41
▸ HDAC6 Q9UBN7 1/20 0.41
▸ CNR2 P34972 2/20 0.40
▸ CNR1 P21554 1/20 0.40
▸ BRD4 O60885 1/20 0.40
▸ BCHE P06276 1/20 0.40

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
SCHEMBL24675764 0.96 GLS (0.47) GLSCA12CA1CA2CA9
SCHEMBL24675795 0.96 GLS (0.47) GLSCA12CA1CA2CA9
SCHEMBL30490889 0.91 GLS (0.46) GLSCA12CA1CA2CA9
SCHEMBL25289842 0.91 GLS (0.46) GLSCA12CA1CA2CA9
SCHEMBL25250103 0.90 CYP2D6 (0.45) CA12CA1CA2CA9CNR2
SCHEMBL30490842 0.90 GLS (0.43) GLSCA12CA1CA2CA9
SCHEMBL25249150 0.90 GLS (0.43) GLSCA12CA1CA2CA9
SCHEMBL24675927 0.87 GLS (0.44) GLSCA12CA1CA2CA9
SCHEMBL24675891 0.87 CNR1 (0.40) CNR2CNR1
SCHEMBL24675183 0.84 ROCK2 (0.49) GLSEPHX2CYP3A4CNR2BRD4

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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