SCHEMBL16638639

SCHEMBL16638639

CCCN(CCC(=O)OC)CCN(CCN)CCC(=O)OC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
TSHR P16473 3/20 0.41
LMNA P02545 2/20 0.40
KDM4E B2RXH2 2/20 0.40
KDM5A P29375 2/20 0.39
CA12 O43570 4/20 0.34
CA14 Q9ULX7 3/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
CA2 P00918 2/20 0.33
CA9 Q16790 2/20 0.33
CA7 P43166 1/20 0.33
CYP1A2 P05177 1/20 0.32
TERT O14746 1/20 0.32
HSD17B10 Q99714 2/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
HTT P42858 1/20 0.32
POLB P06746 1/20 0.31
POLA1 P09884 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
SCHEMBL12903844 0.98 KMT2A (0.47) KMT2AMEN1TSHRLMNAKDM4E
SCHEMBL15781720 0.94 MEN1 (0.53) KMT2AMEN1TSHRLMNAKDM4E
SCHEMBL8203049 0.93 KMT2A (0.52) KMT2AMEN1TSHRLMNAKDM4E
SCHEMBL12791549 0.93 KMT2A (0.52) KMT2AMEN1TSHRLMNAKDM4E
SCHEMBL24727471 0.91 KMT2A (0.54) KMT2AMEN1TSHRLMNAKDM4E
SCHEMBL12791486 0.91 KMT2A (0.54) KMT2AMEN1TSHRLMNAKDM4E
SCHEMBL15781767 0.90 KDM5A (0.43) KMT2AMEN1TSHRLMNAKDM4E
SCHEMBL15781691 0.89 KMT2A (0.46) KMT2AMEN1TSHRLMNAKDM4E
SCHEMBL15781750 0.89 KMT2A (0.46) KMT2AMEN1TSHRLMNAKDM4E
SCHEMBL15783047 0.89 KMT2A (0.46) KMT2AMEN1TSHRLMNAKDM4E

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