SCHEMBL14616563

SCHEMBL14616563

CC(N)Cc1cc(CC(C)N)c(O)c(CN(C)C)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 2/20 0.50
CYP2C9 P11712 1/20 0.50
HSD17B10 Q99714 1/20 0.50
CYP2C19 P33261 1/20 0.46
MAPK1 P28482 1/20 0.46
HTT P42858 1/20 0.46
ALDH1A1 P00352 2/20 0.45
GSR P00390 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
TAAR1 Q96RJ0 3/20 0.42
SLC6A2 P23975 1/20 0.42
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
POLB P06746 1/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
THRB P10828 1/20 0.41
G6PD P11413 1/20 0.41
PABPC1 P11940 1/20 0.41

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
SCHEMBL5038968 0.83 HSD17B10 (0.53) ALOX15CYP2C9HSD17B10CYP2C19MAPK1
SCHEMBL18095789 0.76 HSD17B10 (0.46) ALOX15CYP2C9HSD17B10CYP2C19MAPK1
SCHEMBL36297 0.76 HSD17B10 (0.80) ALOX15CYP2C9HSD17B10CYP2C19MAPK1
SCHEMBL28273434 0.76 HSD17B10 (0.80) ALOX15CYP2C9HSD17B10CYP2C19MAPK1
SCHEMBL11681803 0.75 ALOX15 (0.56) ALOX15CYP2C9HSD17B10CYP2C19MAPK1
SCHEMBL18095784 0.74 ALOX15 (0.51) ALOX15CYP2C9HSD17B10CYP2C19MAPK1
SCHEMBL18095788 0.74 ALOX15 (0.44) ALOX15CYP2C9HSD17B10CYP2C19MAPK1
SCHEMBL25305838 0.74 HSD17B10 (0.77) ALOX15CYP2C9HSD17B10CYP2C19MAPK1
SCHEMBL11406770 0.74 HSD17B10 (0.64) ALOX15CYP2C9HSD17B10CYP2C19MAPK1
SCHEMBL25306052 0.74 HSD17B10 (0.77) ALOX15CYP2C9HSD17B10CYP2C19MAPK1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130055298-A1 INFORMATION RECORDING MEDIUM AND METHOD FOR PRODUCING SAME, AND INFORMATION RECORDING MATERIAL SONY CHEMICAL & INFORMATION DEVICE CORPORATION (JP) 2013-02-28 US disclosed
US-20130019256-A1 INFORMATION RECORDING MEDIUM AND METHOD FOR PRODUCING SAME, AND INFORMATION RECORDING MATERIAL SONY CHEMICAL & INFORMATION DEVICE CORPORATION (JP) 2013-01-17 US disclosed