SCHEMBL29908948

SCHEMBL29908948

CN(C(=O)CCCCCNc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O)c1ccc(NC(=O)CCCCCCC(=O)OC(C)(C)C)cc1

nearest known ligand 0.63

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 9/20 0.63
▸ HDAC3 O15379 8/20 0.63
▸ HDAC2 Q92769 8/20 0.63
▸ NCOR2 Q9Y618 8/20 0.63
▸ CRBN Q96SW2 2/20 0.59
▸ DDB1 Q16531 1/20 0.59
▸ MIF P14174 5/20 0.56
▸ HDAC6 Q9UBN7 2/20 0.54
▸ HDAC4 P56524 1/20 0.51
▸ PIP4K2C Q8TBX8 1/20 0.50
▸ GRAMD1A Q96CP6 1/20 0.50
▸ STAT3 P40763 1/20 0.50
▸ PCLAF Q15004 1/20 0.49
▸ BCL2 P10415 1/20 0.49
▸ MCL1 Q07820 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
SCHEMBL29908946 1.00 HDAC1 (0.63) HDAC1HDAC3HDAC2NCOR2CRBN
SCHEMBL24881714 1.00 HDAC1 (0.63) HDAC1HDAC3HDAC2NCOR2CRBN
SCHEMBL24882089 0.94 HDAC1 (0.66) HDAC1HDAC3HDAC2NCOR2CRBN
SCHEMBL29908942 0.91 HDAC1 (0.68) HDAC1HDAC3HDAC2NCOR2CRBN
SCHEMBL24881882 0.91 HDAC1 (0.68) HDAC1HDAC3HDAC2NCOR2CRBN
SCHEMBL29908958 0.91 HDAC1 (0.68) HDAC1HDAC3HDAC2NCOR2CRBN
SCHEMBL24881467 0.91 HDAC1 (0.68) HDAC1HDAC3HDAC2NCOR2CRBN
SCHEMBL24880997 0.91 HDAC1 (0.68) HDAC1HDAC3HDAC2NCOR2CRBN
SCHEMBL24881470 0.89 HDAC1 (0.66) HDAC1HDAC3HDAC2NCOR2CRBN
SCHEMBL24881054 0.89 HDAC1 (0.62) HDAC1HDAC3HDAC2NCOR2CRBN

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-4054607-A1 SELECTIVE HDAC6 DEGRADERS AND METHODS OF USE THEREOF Dana-Farber Cancer Institute, Inc. (US) 2022-09-14 — — EP disclosed
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