SCHEMBL6536841

SCHEMBL6536841

CC(=O)CCC(=O)CCC(=O)CCOB(OCCC(=O)CCC(=O)CCC(C)=O)OCCC(=O)CCC(=O)CCC(C)=O

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.39
SLC15A2 Q16348 1/20 0.39
KDM4E B2RXH2 1/20 0.33
KDM6B O15054 1/20 0.33
KDM5C P41229 1/20 0.33
EGLN1 Q9GZT9 1/20 0.33
PHF8 Q9UPP1 1/20 0.33
KDM2A Q9Y2K7 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
SCHEMBL28633124 0.77 ALDH1A1 (0.46) ALDH1A1LMNASLC15A2KDM4EKDM6B
SCHEMBL2439884 0.77 ALDH1A1 (0.77) ALDH1A1LMNASLC15A2KDM4EKDM6B
SCHEMBL8155389 0.77 ALDH1A1 (0.77) ALDH1A1LMNASLC15A2KDM4EKDM6B
SCHEMBL11875355 0.76 ALDH1A1 (0.50) ALDH1A1LMNASLC15A2KDM4EKDM6B
SCHEMBL28633121 0.74 ALDH1A1 (0.48) ALDH1A1LMNASLC15A2KDM4EKDM6B
SCHEMBL28966701 0.74 ALDH1A1 (0.71) ALDH1A1LMNASLC15A2KDM4EKDM6B
SCHEMBL16599953 0.71 ALDH1A1 (0.43) ALDH1A1LMNASLC15A2KDM4EKDM6B
SCHEMBL7565933 0.70 ALDH1A1 (0.42) ALDH1A1LMNASLC15A2KDM4EKDM6B
SCHEMBL11683116 0.69 ALDH1A1 (0.62) ALDH1A1LMNASLC15A2KDM4EKDM6B
SCHEMBL22111087 0.68 ALDH1A1 (0.46) ALDH1A1LMNASLC15A2KDM4EKDM6B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6682591-B2 HYDROLYTICALLY STABLE XEROX CORPORATION 2004-01-27 US disclosed
US-20030127020-A1 Aqueous ink compositions containing borate esters XEROX CORPORATION 2003-07-10 US disclosed
US-6585816-B1 As vehicle for thermal ink jet printing; nonevaporating, nonspilling XEROX CORPORATION 2003-07-01 US disclosed
EP-1310532-A1 Phase change inks containing borate esters Xerox Corporation (US) 2003-05-14 EP disclosed