SCHEMBL2879776

SCHEMBL2879776

CN(C)Cc1cc(CN(C)C)c(O)c(CN(C)C)c1.CN(C)Cc1ccc(O)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 2/20 0.65
HSD17B10 Q99714 2/20 0.65
CYP2C9 P11712 1/20 0.65
CYP2C19 P33261 1/20 0.50
MAPK1 P28482 1/20 0.50
HTT P42858 1/20 0.50
ALDH1A1 P00352 5/20 0.49
HRH3 Q9Y5N1 1/20 0.47
TSHR P16473 3/20 0.46
GAA P10253 2/20 0.46
LMNA P02545 1/20 0.46
GSR P00390 1/20 0.46
KDM4E B2RXH2 2/20 0.45
MEN1 O00255 1/20 0.45
POLB P06746 1/20 0.45
MAPT P10636 1/20 0.45
THRB P10828 1/20 0.45
G6PD P11413 1/20 0.45
PABPC1 P11940 1/20 0.45
KMT2A Q03164 1/20 0.45

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
SCHEMBL36297 0.88 HSD17B10 (0.80) ALOX15HSD17B10CYP2C9CYP2C19MAPK1
SCHEMBL28273434 0.88 HSD17B10 (0.80) ALOX15HSD17B10CYP2C9CYP2C19MAPK1
SCHEMBL25306052 0.86 HSD17B10 (0.77) ALOX15HSD17B10CYP2C9CYP2C19MAPK1
SCHEMBL9250665 0.86 HSD17B10 (0.77) ALOX15HSD17B10CYP2C9CYP2C19MAPK1
SCHEMBL25305838 0.86 HSD17B10 (0.77) ALOX15HSD17B10CYP2C9CYP2C19MAPK1
Ammonia Solution, Strong SCHEMBL4827174 0.86 HSD17B10 (0.77) ALOX15HSD17B10CYP2C9CYP2C19MAPK1
SCHEMBL8578515 0.85 ALOX15 (0.65) ALOX15HSD17B10CYP2C9CYP2C19MAPK1
SCHEMBL116611 0.84 HRH3 (0.64) ALDH1A1HRH3TSHRGAALMNA
SCHEMBL19206134 0.84 HRH3 (0.64) ALDH1A1HRH3TSHRGAALMNA
Dimethylamine SCHEMBL28105045 0.82 HSD17B10 (0.71) ALOX15HSD17B10CYP2C9CYP2C19MAPK1

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
EP-2226347-A1 EPOXY RESIN CURING AGENT, METHOD FOR PRODUCING THE SAME, AND EPOXY RESIN COMPOSITION Showa Denko K.K. (JP) 2010-09-08 EP disclosed