SCHEMBL23845134

SCHEMBL23845134

CSc1cccc(OCC(CCC(N)=O)NC(=O)OC(C)(C)C)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC3 O15379 5/20 0.40
▸ HDAC4 P56524 5/20 0.40
▸ HDAC1 Q13547 5/20 0.40
▸ HDAC7 Q8WUI4 5/20 0.40
▸ HDAC2 Q92769 5/20 0.40
▸ HDAC10 Q969S8 5/20 0.40
▸ HDAC11 Q96DB2 5/20 0.40
▸ HDAC8 Q9BY41 5/20 0.40
▸ HDAC6 Q9UBN7 5/20 0.40
▸ HDAC9 Q9UKV0 5/20 0.40
▸ HDAC5 Q9UQL6 5/20 0.40
▸ AAK1 Q2M2I8 4/20 0.38
▸ GAA P10253 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ ATM Q13315 1/20 0.36
▸ F10 P00742 2/20 0.35
▸ APP P05067 1/20 0.34
▸ MTNR1A P48039 2/20 0.34

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
SCHEMBL23845179 0.87 HDAC3 (0.39) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL22526233 0.85 AAK1 (0.48) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL22526872 0.83 HDAC1 (0.41) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL22527004 0.83 ATM (0.42) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL30169063 0.83 ATM (0.42) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL23833144 0.83 HDAC3 (0.40) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL23833147 0.83 HDAC3 (0.40) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL22526462 0.82 CACNA1B (0.40) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL30169343 0.82 ATM (0.43) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL30169362 0.82 CACNA1B (0.40) HDAC3HDAC4HDAC1HDAC7HDAC2

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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