SCHEMBL16638638

SCHEMBL16638638

CCCNCCN(CCC(C)=O)CCN(CCC(=O)OC)CCC(=O)OC

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
PAOX Q6QHF9 4/20 0.40
TSHR P16473 3/20 0.36
KDM5A P29375 2/20 0.35
MGAM O43451 1/20 0.34
GAA P10253 1/20 0.34
SI P14410 1/20 0.34
MGAM2 Q2M2H8 1/20 0.34
CA12 O43570 3/20 0.34
CA14 Q9ULX7 3/20 0.34
CA2 P00918 1/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.31
EPHX2 P34913 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
SCHEMBL18912870 0.89 PAOX (0.51) MEN1KMT2APAOXTSHRKDM5A
SCHEMBL16638640 0.89 MEN1 (0.44) MEN1KMT2APAOXTSHRKDM5A
SCHEMBL12791566 0.87 KMT2A (0.52) MEN1KMT2APAOXTSHRKDM5A
SCHEMBL14128878 0.85 KMT2A (0.54) MEN1KMT2APAOXTSHRKDM5A
SCHEMBL16638634 0.84 MEN1 (0.43) MEN1KMT2APAOXTSHRKDM5A
SCHEMBL7862774 0.83 KMT2A (0.48) MEN1KMT2ATSHRKDM5AMGAM
SCHEMBL12847506 0.83 KMT2A (0.48) MEN1KMT2ATSHRKDM5AMGAM
SCHEMBL12847693 0.83 KMT2A (0.52) MEN1KMT2APAOXTSHRKDM5A
SCHEMBL12847507 0.82 KMT2A (0.47) MEN1KMT2ATSHRKDM5AMGAM
SCHEMBL18912868 0.82 KMT2A (0.47) MEN1KMT2APAOXTSHRKDM5A

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