SCHEMBL24675764

SCHEMBL24675764

CC(C)(C)OC(=O)CCCCCOCCOCCCCCCOc1cccc(CNC(=O)OC(C)(C)C)c1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ GLS O94925 2/20 0.47
▸ EPHX2 P34913 2/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ HDAC8 Q9BY41 2/20 0.43
▸ HDAC3 O15379 1/20 0.43
▸ HDAC1 Q13547 1/20 0.43
▸ HDAC2 Q92769 1/20 0.43
▸ HDAC10 Q969S8 1/20 0.43
▸ HDAC11 Q96DB2 1/20 0.43
▸ HDAC6 Q9UBN7 1/20 0.43
▸ CNR2 P34972 3/20 0.42
▸ CNR1 P21554 1/20 0.42
▸ CA12 O43570 2/20 0.41
▸ CA1 P00915 2/20 0.41
▸ CA2 P00918 2/20 0.41
▸ CA9 Q16790 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
SCHEMBL24675795 1.00 GLS (0.47) GLSEPHX2CYP3A4HDAC8HDAC3
SCHEMBL24675890 0.96 GLS (0.45) GLSEPHX2CYP3A4HDAC8HDAC3
SCHEMBL30490889 0.95 GLS (0.46) GLSEPHX2CYP3A4HDAC8HDAC3
SCHEMBL25289842 0.95 GLS (0.46) GLSEPHX2CYP3A4HDAC8HDAC3
SCHEMBL30490842 0.90 GLS (0.43) GLSEPHX2CYP3A4CA12CA1
SCHEMBL25249150 0.90 GLS (0.43) GLSEPHX2CYP3A4CA12CA1
SCHEMBL24675927 0.87 GLS (0.44) GLSEPHX2CYP3A4CA12CA1
SCHEMBL25289836 0.87 CA1 (0.49) HDAC8HDAC1CA12CA1CA2
SCHEMBL25250103 0.86 CYP2D6 (0.45) CNR2CNR1CA12CA1CA2
SCHEMBL25256244 0.85 CNR1 (0.45) CYP3A4CNR2CNR1CA12CA1

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
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