SCHEMBL9767972

SCHEMBL9767972

Cc1ccccc1NCC(O)c1ccc(O)c(O)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 9/20 0.58
MAPT P10636 7/20 0.58
TDP1 Q9NUW8 7/20 0.58
KDM4E B2RXH2 7/20 0.58
ADRB1 P08588 5/20 0.58
HSD17B10 Q99714 5/20 0.58
MEN1 O00255 4/20 0.58
KMT2A Q03164 4/20 0.58
TSHR P16473 4/20 0.58
DRD2 P14416 4/20 0.58
DRD3 P35462 4/20 0.58
ADRB3 P13945 3/20 0.58
MTOR P42345 3/20 0.58
MAPK1 P28482 3/20 0.58
CYP1A2 P05177 3/20 0.58
HIF1A Q16665 3/20 0.58
DRD1 P21728 3/20 0.58
ALDH1A1 P00352 2/20 0.58
CYP3A4 P08684 2/20 0.58
ADORA3 P0DMS8 2/20 0.58

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
SCHEMBL9768168 0.82 ADRB2 (0.54) ADRB2MAPTTDP1KDM4EADRB1
SCHEMBL9768027 0.82 ADRB2 (0.54) ADRB2MAPTTDP1KDM4EADRB1
SCHEMBL9768149 0.82 ADRB2 (0.62) ADRB2MAPTTDP1KDM4EADRB1
SCHEMBL9768117 0.81 ADRB2 (0.53) ADRB2MAPTTDP1KDM4EADRB1
SCHEMBL5604949 0.81 HTT (0.71) ADRB2MAPTKDM4ECYP2D6LMNA
SCHEMBL9768007 0.80 MAPT (0.51) ADRB2MAPTTDP1KDM4EADRB1
SCHEMBL9768046 0.78 ADRB2 (0.60) ADRB2MAPTTDP1KDM4EADRB1
SCHEMBL9768018 0.77 ADRB2 (0.48) ADRB2MAPTTDP1KDM4EADRB1
Racepinephrine SCHEMBL6536048 0.76 KDM4E (0.90) ADRB2MAPTTDP1KDM4EADRB1
Epinephrine SCHEMBL6536046 0.76 KDM4E (0.90) ADRB2MAPTTDP1KDM4EADRB1

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-5047592-A Selective hydrogenolysis process ETHYL CORPORATION (US) 1991-09-10 US disclosed