Largazole Thiol

Largazole Thiol

SCHEMBL15827016

CC(C)C1NC(=O)C2(C)CSC(=N2)c2csc(n2)CNC(=O)CC(/C=C/CCS)OC1=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 20/20 1.00
HDAC1 Q13547 19/20 1.00
HDAC2 Q92769 19/20 1.00
HDAC6 Q9UBN7 13/20 1.00
HDAC8 Q9BY41 12/20 1.00
NCOR2 Q9Y618 9/20 1.00
HDAC10 Q969S8 6/20 1.00
HDAC11 Q96DB2 2/20 1.00
HDAC7 Q8WUI4 1/20 0.77
UBA1 P22314 1/20 0.73
HDAC4 P56524 1/20 0.73
HDAC9 Q9UKV0 1/20 0.73

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
Largazole Thiol SCHEMBL15195503 1.00 HDAC3 (1.00) HDAC3HDAC1HDAC2HDAC6HDAC8
Largazole Thiol SCHEMBL7994520 1.00 HDAC3 (1.00) HDAC3HDAC1HDAC2HDAC6HDAC8
Largazole Thiol SCHEMBL31267135 1.00 HDAC3 (1.00) HDAC3HDAC1HDAC2HDAC6HDAC8
Largazole Thiol SCHEMBL72077 1.00 HDAC3 (1.00) HDAC3HDAC1HDAC2HDAC6HDAC8
Largazole Thiol SCHEMBL8040245 1.00 HDAC3 (1.00) HDAC3HDAC1HDAC2HDAC6HDAC8
SCHEMBL15195510 0.95 HDAC3 (0.90) HDAC3HDAC1HDAC2HDAC6HDAC8
SCHEMBL17263837 0.95 HDAC3 (0.90) HDAC3HDAC1HDAC2HDAC6HDAC8
SCHEMBL13453227 0.95 HDAC3 (0.90) HDAC3HDAC1HDAC2HDAC6HDAC8
SCHEMBL12651856 0.93 HDAC3 (0.88) HDAC3HDAC1HDAC2HDAC6HDAC8
SCHEMBL12611184 0.93 HDAC3 (0.88) HDAC3HDAC1HDAC2HDAC6HDAC8

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8759512-B2 Methods of preparation of macrocyclic compounds UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2014-06-24 US disclosed
US-8759512-B2 Methods of preparation of macrocyclic compounds UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2014-06-24 US disclosed