SCHEMBL16638642

SCHEMBL16638642

CCCN(CCNCCNCCC(=O)OC)CCC(=O)OC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
CA12 O43570 5/20 0.39
CA14 Q9ULX7 5/20 0.39
TSHR P16473 3/20 0.39
CA7 P43166 2/20 0.37
CA9 Q16790 2/20 0.37
CA2 P00918 2/20 0.37
KDM5A P29375 2/20 0.37
LTA4H P09960 1/20 0.34
TOP2A P11388 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.32
PAOX Q6QHF9 1/20 0.32
EPHX2 P34913 1/20 0.31
PRKD3 O94806 1/20 0.31
PRKCG P05129 1/20 0.31
PRKCB P05771 1/20 0.31
PRKCA P17252 1/20 0.31
PRKACA P17612 1/20 0.31
PRKACG P22612 1/20 0.31

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
SCHEMBL16638634 0.97 MEN1 (0.43) MEN1KMT2ACA12CA14TSHR
SCHEMBL12847852 0.93 KMT2A (0.48) MEN1KMT2ACA12CA14TSHR
SCHEMBL16638640 0.92 MEN1 (0.44) MEN1KMT2ACA12CA14TSHR
SCHEMBL12847507 0.91 KMT2A (0.47) MEN1KMT2ACA12CA14TSHR
SCHEMBL12791479 0.91 KMT2A (0.50) MEN1KMT2ACA12CA14TSHR
SCHEMBL12847692 0.91 KMT2A (0.50) MEN1KMT2ACA12CA14TSHR
SCHEMBL12847506 0.90 KMT2A (0.48) MEN1KMT2ACA12CA14TSHR
SCHEMBL7862774 0.90 KMT2A (0.48) MEN1KMT2ACA12CA14TSHR
SCHEMBL12847693 0.89 KMT2A (0.52) MEN1KMT2ACA12CA14TSHR
SCHEMBL15781714 0.88 MEN1 (0.50) MEN1KMT2ACA12CA14TSHR

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-9006487-B2 Amine-containing lipids and uses thereof MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2015-04-14 US disclosed