SCHEMBL24895360

SCHEMBL24895360

CC(C)(CC(C)(C)C(=O)Nc1ccccc1)C(=O)NO

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP8 P22894 1/20 0.60
HDAC1 Q13547 6/20 0.53
HDAC7 Q8WUI4 5/20 0.53
HDAC8 Q9BY41 5/20 0.53
HDAC6 Q9UBN7 5/20 0.53
HDAC3 O15379 4/20 0.53
HDAC4 P56524 4/20 0.53
HDAC2 Q92769 4/20 0.53
HDAC10 Q969S8 4/20 0.53
HDAC11 Q96DB2 4/20 0.53
HDAC9 Q9UKV0 4/20 0.53
HDAC5 Q9UQL6 4/20 0.53
PDK1 Q15118 2/20 0.51
PDK2 Q15119 2/20 0.51
PDK3 Q15120 2/20 0.51
PDK4 Q16654 2/20 0.51
MAPT P10636 2/20 0.49
HPGD P15428 2/20 0.49
GAA P10253 1/20 0.49
RAB9A P51151 1/20 0.49

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
SCHEMBL26844895 0.85 PDK1 (0.50) MMP8HDAC1HDAC7HDAC8HDAC6
SCHEMBL8322930 0.83 PDK1 (0.60) MMP8HDAC1HDAC7HDAC8HDAC6
SCHEMBL12890688 0.83 PDK1 (0.51) MMP8HDAC1HDAC7HDAC8HDAC6
SCHEMBL24895407 0.82 HDAC1 (0.46) MMP8HDAC1HDAC7HDAC8HDAC6
SCHEMBL750651 0.80 RIPK1 (0.59) MMP8HDAC1HDAC7HDAC8HDAC6
SCHEMBL3295838 0.80 PDK1 (0.61) MMP8HDAC1HDAC7HDAC8HDAC6
SCHEMBL8321463 0.80 PDK1 (0.61) MMP8HDAC1HDAC7HDAC8HDAC6
SCHEMBL383023 0.79 HTT (0.66) MMP8HDAC1HDAC7HDAC8HDAC6
SCHEMBL26499202 0.78 PDK1 (0.46) MMP8HDAC1HDAC7HDAC8HDAC6
SCHEMBL7440675 0.77 MEN1 (0.71) MMP8HDAC1HDAC7HDAC8HDAC6

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-2023287984-A1 SUBEROYLANILIDE HYDROXAMIC ACID (SAHA) DRUGS, CONJUGATES, AND NANOPARTICLES, AND METHODS OF USE THEREOF UNIVERSITY OF MARYLAND, BALTIMORE (US) 2023-01-19 WO disclosed