SCHEMBL5922012

SCHEMBL5922012

C=C(CCCOCCOCC)C(=O)O.CC(=CC1CC2CCC1(C)C2(C)C)C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 3/20 0.34
KDM4E B2RXH2 3/20 0.34
KMT2A Q03164 2/20 0.34
LMNA P02545 4/20 0.33
ALDH1A1 P00352 1/20 0.33
HTT P42858 3/20 0.33
MAPT P10636 2/20 0.32
NPSR1 Q6W5P4 2/20 0.32
PLA2G1B P04054 1/20 0.32
MAPK1 P28482 1/20 0.32
RAD52 P43351 1/20 0.32
ATG4B Q9Y4P1 1/20 0.32
MEN1 O00255 1/20 0.32
CYP2C19 P33261 1/20 0.32
TDP1 Q9NUW8 1/20 0.32

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
SCHEMBL2531554 0.85 EPHX2 (0.42) EPHX2KDM4EKMT2ALMNAALDH1A1
SCHEMBL5864543 0.85 EPHX2 (0.42) EPHX2KDM4EKMT2ALMNAALDH1A1
SCHEMBL3778927 0.81 ALDH1A1 (0.32) EPHX2KMT2ALMNAALDH1A1HTT
SCHEMBL8157774 0.80 MEN1 (0.35) EPHX2KMT2ALMNAALDH1A1HTT
SCHEMBL9364485 0.79 ALDH1A1 (0.33) EPHX2KMT2ALMNAALDH1A1HTT
SCHEMBL2029635 0.79 KMT2A (0.39) EPHX2KMT2ALMNAALDH1A1HTT
SCHEMBL21799353 0.79 KMT2A (0.39) EPHX2KMT2ALMNAALDH1A1HTT
SCHEMBL20357288 0.79 KMT2A (0.39) EPHX2KMT2ALMNAALDH1A1HTT
SCHEMBL17745706 0.79 KMT2A (0.39) EPHX2KMT2ALMNAALDH1A1HTT
SCHEMBL26529 0.79 KMT2A (0.39) EPHX2KMT2ALMNAALDH1A1HTT

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
US-20060142415-A1 Method of making and using inkjet inks 3M INNOVATIVE PROPERTIES COMPANY 2006-06-29 US disclosed