SCHEMBL23845226

SCHEMBL23845226

COC(=O)CCCC#Cc1cccc(OC[C@H](CCC(N)O)NC(=O)OC(C)(C)C)c1F

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ AAK1 Q2M2I8 7/20 0.37
▸ PPARG P37231 5/20 0.35
▸ PPARA Q07869 4/20 0.35
▸ HDAC3 O15379 2/20 0.32
▸ HDAC4 P56524 2/20 0.32
▸ HDAC1 Q13547 2/20 0.32
▸ HDAC7 Q8WUI4 2/20 0.32
▸ HDAC2 Q92769 2/20 0.32
▸ HDAC10 Q969S8 2/20 0.32
▸ HDAC11 Q96DB2 2/20 0.32
▸ HDAC8 Q9BY41 2/20 0.32
▸ HDAC6 Q9UBN7 2/20 0.32
▸ HDAC9 Q9UKV0 2/20 0.32
▸ HDAC5 Q9UQL6 2/20 0.32
▸ ALDH1A1 P00352 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ TSHR P16473 1/20 0.31
▸ REN P00797 1/20 0.31

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
SCHEMBL23833204 0.91 AAK1 (0.38) AAK1PPARGPPARAHDAC3HDAC4
SCHEMBL23833207 0.91 AAK1 (0.38) AAK1PPARGPPARAHDAC3HDAC4
SCHEMBL22526117 0.86 AAK1 (0.39) AAK1HDAC3HDAC4HDAC1HDAC7
SCHEMBL23832968 0.86 AAK1 (0.39) AAK1HDAC3HDAC4HDAC1HDAC7
SCHEMBL30193131 0.86 AAK1 (0.39) AAK1HDAC3HDAC4HDAC1HDAC7
SCHEMBL26238218 0.84 AAK1 (0.38) AAK1HDAC3HDAC4HDAC1HDAC7
SCHEMBL23845227 0.83 AAK1 (0.38) AAK1PPARGHDAC3HDAC4HDAC1
SCHEMBL30169109 0.81 AAK1 (0.40) AAK1HDAC3HDAC4HDAC1HDAC7
SCHEMBL22526123 0.81 AAK1 (0.40) AAK1HDAC3HDAC4HDAC1HDAC7
SCHEMBL22526644 0.80 AAK1 (0.38) AAK1HDAC3HDAC4HDAC1HDAC7

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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