SCHEMBL22688569

SCHEMBL22688569

CC(=O)CNC(=O)CCCN1C(=O)CC(C(C)C)C1=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC10 Q969S8 1/20 0.38
HDAC11 Q96DB2 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
HDAC9 Q9UKV0 1/20 0.38
HDAC5 Q9UQL6 1/20 0.38
SMN1; SMN2 Q16637 4/20 0.36
HPGD P15428 1/20 0.36
HTT P42858 1/20 0.36
ALDH1A1 P00352 2/20 0.33
FOLH1 Q04609 1/20 0.33
FKBP1A P62942 1/20 0.32
MEN1 O00255 4/20 0.32
KMT2A Q03164 4/20 0.32
HTR1A P08908 2/20 0.32

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
SCHEMBL20169738 0.98 HDAC3 (0.36) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL12700804 0.90 HDAC6 (0.39) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL15505722 0.89 HDAC3 (0.37) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL22064399 0.88 HDAC3 (0.36) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL18389703 0.86 HDAC3 (0.40) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL12523145 0.85 PAOX (0.35) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL23585028 0.85 HDAC3 (0.35) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL25100482 0.84 SMN1; SMN2 (0.41) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL22333009 0.84 HDAC1 (0.37) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL22015388 0.84 HDAC3 (0.39) 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
EP-3313884-B1 ANTI-CD123 ANTIBODIES AND CONJUGATES AND DERIVATIVES THEREOF IMMUNOGEN INC (US) 2020-11-18 EP disclosed