SCHEMBL9768053

SCHEMBL9768053

Cc1ccc(NCC(O)c2ccc(O)c(O)c2)c(Cl)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.54
TDP1 Q9NUW8 9/20 0.54
ADRB2 P07550 8/20 0.54
KDM4E B2RXH2 8/20 0.54
HSD17B10 Q99714 6/20 0.54
ADRB1 P08588 5/20 0.54
MEN1 O00255 5/20 0.54
KMT2A Q03164 5/20 0.54
TSHR P16473 5/20 0.54
ADRB3 P13945 4/20 0.54
MAPK1 P28482 4/20 0.54
CYP1A2 P05177 4/20 0.54
HIF1A Q16665 4/20 0.54
MTOR P42345 3/20 0.54
CYP3A4 P08684 3/20 0.54
ADORA3 P0DMS8 3/20 0.54
DRD2 P14416 3/20 0.54
ADRA1D P25100 3/20 0.54
ADRA1A P35348 3/20 0.54
ADRA1B P35368 3/20 0.54

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
SCHEMBL9768061 0.84 MAPT (0.57) MAPTTDP1ADRB2KDM4EHSD17B10
SCHEMBL9768027 0.82 ADRB2 (0.54) MAPTTDP1ADRB2KDM4EHSD17B10
SCHEMBL9768222 0.79 ADRB2 (0.61) MAPTTDP1ADRB2KDM4EHSD17B10
SCHEMBL9767972 0.76 ADRB2 (0.58) MAPTTDP1ADRB2KDM4EHSD17B10
SCHEMBL19707580 0.76 HTT (0.50) ADRB2ADRB1TSHRADRB3CYP1A2
SCHEMBL9768050 0.75 MAPT (0.56) MAPTTDP1ADRB2KDM4EHSD17B10
SCHEMBL9768323 0.74 MAPT (0.55) MAPTTDP1ADRB2KDM4EHSD17B10
Epinephrine SCHEMBL20360472 0.73 KDM4E (0.90) MAPTTDP1ADRB2KDM4EHSD17B10
Isoproterenol SCHEMBL28106224 0.73 MAPT (0.88) MAPTTDP1ADRB2KDM4EHSD17B10
Racepinephrine SCHEMBL3815 0.71 KDM4E (1.00) MAPTTDP1ADRB2KDM4EHSD17B10

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