SCHEMBL8203049

SCHEMBL8203049

COC(=O)CCN(CCN)CCN(CCC(=O)OC)CCN(CCC(=O)OC)CCC(=O)OC

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.52
MEN1 O00255 1/20 0.52
TSHR P16473 4/20 0.48
LMNA P02545 3/20 0.45
KDM4E B2RXH2 1/20 0.45
CA12 O43570 1/20 0.36
CA14 Q9ULX7 1/20 0.36
KDM5A P29375 2/20 0.36
HSD17B10 Q99714 2/20 0.35
ALDH1A1 P00352 2/20 0.35
MAPT P10636 1/20 0.35
HTT P42858 1/20 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
SLC1A1 P43005 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
GLA P06280 1/20 0.33
RECQL P46063 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
SCHEMBL12791549 1.00 KMT2A (0.52) KMT2AMEN1TSHRLMNAKDM4E
SCHEMBL12791486 0.98 KMT2A (0.54) KMT2AMEN1TSHRLMNAKDM4E
SCHEMBL15783047 0.93 KMT2A (0.46) KMT2AMEN1TSHRLMNAKDM4E
SCHEMBL15781691 0.93 KMT2A (0.46) KMT2AMEN1TSHRLMNAKDM4E
SCHEMBL15781750 0.93 KMT2A (0.46) KMT2AMEN1TSHRLMNAKDM4E
SCHEMBL16638639 0.93 KMT2A (0.46) KMT2AMEN1TSHRLMNAKDM4E
SCHEMBL12903844 0.90 KMT2A (0.47) KMT2AMEN1TSHRLMNAKDM4E
SCHEMBL12792548 0.90 KMT2A (0.47) KMT2AMEN1TSHRLMNAKDM4E
SCHEMBL15781767 0.89 KDM5A (0.43) KMT2AMEN1TSHRLMNAKDM4E
SCHEMBL2055299 0.89 KMT2A (0.62) 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-6028193-A CATALYZING THE OXIDATION REACTION IN PRESENCE OF A TRANSITION METAL COMPLEX WHICH CONTAINS A CYCLIC POLYFUNCTIONAL AMINE COMPOUND HAVING AT LEAST THREE NITROGEN ATOMS IN THE RING FORMING MOLECULAR MITSUI CHEMICALS, INC. (JP) 2000-02-22 US disclosed