SCHEMBL25560425

SCHEMBL25560425

Cn1ccc(/C=C/C(=O)c2ccc(NC(=O)OC(C)(C)C)cc2)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.44
HDAC2 Q92769 2/20 0.44
HDAC3 O15379 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
CYP17A1 P05093 3/20 0.43
NAMPT P43490 1/20 0.43
TUBB4A P04350 2/20 0.43
TUBB P07437 2/20 0.43
TUBA3C P0DPH7 2/20 0.43
TUBA1B P68363 2/20 0.43
TUBA4A P68366 2/20 0.43
TUBB4B P68371 2/20 0.43
TUBB3 Q13509 2/20 0.43
TUBB2A Q13885 2/20 0.43
TUBB8 Q3ZCM7 2/20 0.43
TUBA3E Q6PEY2 2/20 0.43
TUBA1A Q71U36 2/20 0.43
TUBA1C Q9BQE3 2/20 0.43
TUBB6 Q9BUF5 2/20 0.43

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
SCHEMBL30370270 0.79 TUBB4A (0.70) HDAC1HDAC2HDAC3HDAC8HDAC6
SCHEMBL25560329 0.79 TUBB4A (0.70) HDAC1HDAC2HDAC3HDAC8HDAC6
SCHEMBL25560355 0.76 HDAC3 (0.46) HDAC1HDAC2HDAC3HDAC8HDAC6
SCHEMBL25195142 0.75 HDAC3 (0.60) HDAC1HDAC2HDAC3HDAC8HDAC6
SCHEMBL7084616 0.73 MAPT (0.52) HDAC1HDAC2HDAC3HDAC8HDAC6
SCHEMBL7084615 0.73 MAPT (0.52) HDAC1HDAC2HDAC3HDAC8HDAC6
SCHEMBL26246143 0.73 SIRT1 (0.43) HDAC1HDAC2HDAC3HDAC8HDAC6
SCHEMBL23761144 0.72 HDAC8 (0.55) HDAC1HDAC2HDAC3HDAC8HDAC6
SCHEMBL25560382 0.72 HDAC3 (0.45) HDAC1HDAC2HDAC3HDAC8HDAC6
SCHEMBL13055402 0.71 CYP17A1 (0.59) CYP17A1NAMPTMAPK14PTGDR2PSMB8

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-2023081312-A1 SMALL MOLECULE INDUCERS OF AUTOPHAGY Vir Biotechnology, Inc. (US) 2023-05-11 WO disclosed