SCHEMBL13668152

SCHEMBL13668152

CC(C)C(=O)NCCCOCCOCCCNC(=O)C(C)C

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.57
MEN1 O00255 1/20 0.57
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
MAPT P10636 1/20 0.44
HSD17B10 Q99714 1/20 0.44
TSHR P16473 2/20 0.44
ALDH1A1 P00352 4/20 0.41
HPGD P15428 2/20 0.40
KDM4E B2RXH2 1/20 0.40
GAA P10253 1/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
ALDH1A2 O94788 1/20 0.39
ALDH2 P05091 1/20 0.39
ALDH1A3 P47895 1/20 0.39
EPHX2 P34913 1/20 0.38
NPSR1 Q6W5P4 1/20 0.37
LMNA P02545 1/20 0.36

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
SCHEMBL12189911 0.93 KMT2A (0.50) KMT2AMEN1CYP2D6CYP2C9CYP2C19
SCHEMBL12112072 0.93 TSHR (0.54) KMT2AMEN1CYP2D6CYP2C9CYP2C19
SCHEMBL25971375 0.91 KMT2A (0.53) KMT2AMEN1CYP2D6CYP2C9CYP2C19
SCHEMBL25697432 0.91 KMT2A (0.53) KMT2AMEN1CYP2D6CYP2C9CYP2C19
SCHEMBL17301944 0.91 KMT2A (0.49) KMT2AMEN1CYP2D6CYP2C9CYP2C19
SCHEMBL25727242 0.91 KMT2A (0.53) KMT2AMEN1CYP2D6CYP2C9CYP2C19
SCHEMBL12543410 0.90 MAPT (0.55) KMT2AMEN1CYP2D6CYP2C9CYP2C19
SCHEMBL12543137 0.90 MAPT (0.48) KMT2AMEN1CYP2D6CYP2C9CYP2C19
SCHEMBL24673728 0.89 KMT2A (0.51) KMT2AMEN1CYP2D6CYP2C9CYP2C19
SCHEMBL25830865 0.89 KMT2A (0.51) KMT2AMEN1CYP2D6CYP2C9CYP2C19

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-7601796-B2 polyamideether copolymer has a hydrophilic polyethylene glycol and a hydrophobic polyamino acid blocks; modified polyethylene glycol homopolymer; forming conjugate polymer drug; resin peptides; use in pharmaceutically acceptable compositions INTEZYNE TECHNOLOGIES, INC. (US) 2009-10-13 US disclosed