SCHEMBL11517852

SCHEMBL11517852

CC(C)NCC(O)c1ccc(C(N)=O)c(O)c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 7/20 0.66
KDM4E B2RXH2 6/20 0.66
ADRB1 P08588 6/20 0.66
MAPT P10636 5/20 0.66
HSD17B10 Q99714 5/20 0.66
ADRB3 P13945 5/20 0.66
TDP1 Q9NUW8 4/20 0.66
TSHR P16473 4/20 0.66
LMNA P02545 4/20 0.66
CYP1A2 P05177 4/20 0.66
HIF1A Q16665 4/20 0.66
MAPK1 P28482 3/20 0.66
NFKB1 P19838 3/20 0.66
MEN1 O00255 3/20 0.66
KMT2A Q03164 3/20 0.66
ALDH1A1 P00352 3/20 0.66
HPGD P15428 3/20 0.66
ADRA1D P25100 3/20 0.66
ADRA1A P35348 3/20 0.66
ADRA1B P35368 3/20 0.66

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
SCHEMBL11097348 0.82 ADRB2 (0.57) ADRB2KDM4EADRB1ADRB3TDP1
SCHEMBL12947254 0.80 ADRB2 (0.76) ADRB2KDM4EADRB1MAPTHSD17B10
Levisoprenaline SCHEMBL29620666 0.80 MAPT (1.00) ADRB2KDM4EADRB1MAPTHSD17B10
Isoproterenol SCHEMBL3253794 0.80 MAPT (1.00) ADRB2KDM4EADRB1MAPTHSD17B10
Isoproterenol SCHEMBL29386243 0.80 MAPT (1.00) ADRB2KDM4EADRB1MAPTHSD17B10
Isoproterenol SCHEMBL4165 0.80 MAPT (1.00) ADRB2KDM4EADRB1MAPTHSD17B10
Isoproterenol SCHEMBL4166 0.80 MAPT (1.00) ADRB2KDM4EADRB1MAPTHSD17B10
Levisoprenaline SCHEMBL250806 0.80 MAPT (1.00) ADRB2KDM4EADRB1MAPTHSD17B10
Isoproterenol SCHEMBL29519146 0.80 MAPT (1.00) ADRB2KDM4EADRB1MAPTHSD17B10
Isoproterenol SCHEMBL7627 0.79 MAPT (1.00) ADRB2KDM4EADRB1MAPTHSD17B10

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-4161530-A CYCLIC SUBSTITUTED AMINO ALCOHOL BETA-RECEPTOR-BLOCKING AGENT AND TRYPTOPHANE CIBA-GEIGY CORPORATION (US) 1979-07-17 US disclosed