SCHEMBL5014070

SCHEMBL5014070

CC(C)(C)OC(=O)CCSCCC(=O)OC(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.43
HDAC2 Q92769 2/20 0.43
HDAC6 Q9UBN7 2/20 0.43
HDAC3 O15379 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
TDP1 Q9NUW8 2/20 0.40
LMNA P02545 1/20 0.40
KMT2A Q03164 1/20 0.40
HSD17B10 Q99714 1/20 0.40
ALDH1A1 P00352 2/20 0.34
HPGD P15428 1/20 0.34
STING1 Q86WV6 1/20 0.34
DGAT1 O75907 1/20 0.33
EPHX2 P34913 1/20 0.33
CYP2D6 P10635 1/20 0.33
MTNR1A P48039 1/20 0.33
MTNR1B P49286 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33

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
SCHEMBL22615683 0.92 TDP1 (0.40) HDAC1HDAC2HDAC6HDAC3HDAC8
SCHEMBL5014073 0.92 LMNA (0.56) HDAC1HDAC2HDAC6HDAC3HDAC8
SCHEMBL23768553 0.90 HDAC3 (0.38) HDAC1HDAC2HDAC6HDAC3HDAC8
SCHEMBL13892879 0.89 TSHR (0.42) HDAC1HDAC2HDAC6HDAC3HDAC8
SCHEMBL769948 0.87 HDAC3 (0.36) HDAC1HDAC2HDAC6HDAC3HDAC8
SCHEMBL23895832 0.86 HDAC1 (0.51) HDAC1HDAC2HDAC6HDAC3HDAC8
SCHEMBL8546872 0.86 MAPT (0.41) HDAC1HDAC2HDAC6HDAC3HDAC8
SCHEMBL8546618 0.84 HSD17B10 (0.39) HDAC1HDAC2HDAC6HDAC3HDAC8
SCHEMBL28649015 0.84 HDAC1 (0.42) HDAC1HDAC2HDAC6HDAC3HDAC8
SCHEMBL770495 0.84 HDAC3 (0.35) HDAC1HDAC2HDAC6HDAC3HDAC8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118666690-A Binuclear quaternary ammonium salt ionic liquid compound and application thereof 中国药科大学 2024-09-20 CN disclosed
EP-1947725-A2 Polymer electrolyte composition and fuel cell Sumitomo Chemical Company, Limited (JP) 2008-07-23 EP disclosed
EP-1289041-B1 Polymer electrolyte composition and fuel cell SUMITOMO CHEMICAL CO (JP) 2008-03-12 EP disclosed
US-20060257706-A1 POLYMER ELECTROLYTE COMPOSITION AND FUEL CELL HIDAKA YASUAKI 2006-11-16 US disclosed
US-20030113605-A1 Polymer electrolyte composition and fuel cell SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2003-06-19 US disclosed
EP-1289041-A2 Polymer electrolyte composition and fuel cell SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2003-03-05 EP disclosed