SCHEMBL23845179

SCHEMBL23845179

CSc1ccc(OC[C@H](CCC(N)=O)NC(=O)OC(C)(C)C)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC3 O15379 3/20 0.39
▸ HDAC4 P56524 3/20 0.39
▸ HDAC1 Q13547 3/20 0.39
▸ HDAC7 Q8WUI4 3/20 0.39
▸ HDAC2 Q92769 3/20 0.39
▸ HDAC10 Q969S8 3/20 0.39
▸ HDAC11 Q96DB2 3/20 0.39
▸ HDAC8 Q9BY41 3/20 0.39
▸ HDAC6 Q9UBN7 3/20 0.39
▸ HDAC9 Q9UKV0 3/20 0.39
▸ HDAC5 Q9UQL6 3/20 0.39
▸ AAK1 Q2M2I8 4/20 0.39
▸ ITGB3 P05106 1/20 0.39
▸ ITGA2B P08514 1/20 0.39
▸ CA12 O43570 3/20 0.36
▸ CA1 P00915 3/20 0.36
▸ CA2 P00918 3/20 0.36
▸ CA9 Q16790 3/20 0.36
▸ APP P05067 1/20 0.36
▸ ATM Q13315 1/20 0.36

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
SCHEMBL23845134 0.87 HDAC3 (0.40) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL22502616 0.86 AAK1 (0.49) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL22502613 0.86 AAK1 (0.49) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL23833336 0.83 CA2 (0.45) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL23833338 0.83 CA2 (0.45) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL22526181 0.83 ITGB3 (0.44) HDAC8ITGB3ITGA2BAPPATM
SCHEMBL26240287 0.83 CTSS (0.41) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL22525456 0.80 AAK1 (0.48) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL30169260 0.80 AAK1 (0.48) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL22526833 0.79 RXRA (0.45) ITGB3ITGA2B

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021188696-A1 STAT DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. (US) 2021-09-23 — — WO disclosed
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