SCHEMBL17870857

SCHEMBL17870857

CC(=O)SCC(=O)OCC(COC(=O)CSC(C)=O)(COC(=O)CSC(C)=O)COC(=O)CSC(C)=O

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.34
HDAC4 P56524 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC7 Q8WUI4 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC10 Q969S8 1/20 0.34
HDAC11 Q96DB2 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
HDAC9 Q9UKV0 1/20 0.34
HDAC5 Q9UQL6 1/20 0.34
MAPK1 P28482 1/20 0.31
HIF1A Q16665 1/20 0.31
CYP2C19 P33261 1/20 0.31
POLB P06746 1/20 0.30
BLM P54132 1/20 0.30
ATM Q13315 1/20 0.30

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
SCHEMBL11092006 0.77 MGAM (0.50) POLB
SCHEMBL802277 0.77 USP2 (0.34) MAPK1HIF1A
SCHEMBL20657367 0.76 CYP1A2 (0.34) CYP2C19
SCHEMBL20438455 0.72 MAPK1 (0.31) MAPK1HIF1A
SCHEMBL17639952 0.72 USP2 (0.32) MAPK1HIF1A
SCHEMBL17883363 0.72 CYP2C19 (0.35) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL11965991 0.72 ALDH1A1 (0.32) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL2502740 0.71 CCNB2 (0.39) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL218916 0.70 MGAM (0.52) MAPK1HIF1A
SCHEMBL18113089 0.69 CYP19A1 (0.42) MAPK1

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
WO-2016102573-A1 USE OF A THIOLESTER AS A HARDENER FOR EPOXIDE ADHESIVES HENKEL AG & CO. KGAA (DE) 2016-06-30 WO disclosed
WO-2016102573-A1 USE OF A THIOLESTER AS A HARDENER FOR EPOXIDE ADHESIVES HENKEL AG & CO. KGAA (DE) 2016-06-30 WO disclosed