SCHEMBL9768007

SCHEMBL9768007

Oc1ccc(C(O)CNc2ccccc2-c2ccccc2)cc1O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.51
ADRB2 P07550 9/20 0.51
TDP1 Q9NUW8 9/20 0.51
KDM4E B2RXH2 8/20 0.51
HSD17B10 Q99714 6/20 0.51
ADRB1 P08588 5/20 0.51
MEN1 O00255 5/20 0.51
KMT2A Q03164 5/20 0.51
TSHR P16473 5/20 0.51
ADRB3 P13945 4/20 0.51
MAPK1 P28482 4/20 0.51
CYP1A2 P05177 4/20 0.51
HIF1A Q16665 4/20 0.51
MTOR P42345 3/20 0.51
CYP3A4 P08684 3/20 0.51
ADORA3 P0DMS8 3/20 0.51
DRD2 P14416 3/20 0.51
ADRA1D P25100 3/20 0.51
ADRA1A P35348 3/20 0.51
ADRA1B P35368 3/20 0.51

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 0.80 ADRB2 (0.54) MAPTADRB2TDP1KDM4EHSD17B10
SCHEMBL9767972 0.80 ADRB2 (0.58) MAPTADRB2TDP1KDM4EHSD17B10
SCHEMBL9768027 0.80 ADRB2 (0.54) MAPTADRB2TDP1KDM4EHSD17B10
SCHEMBL9768046 0.79 ADRB2 (0.60) MAPTADRB2TDP1KDM4EHSD17B10
SCHEMBL9768117 0.79 ADRB2 (0.53) MAPTADRB2TDP1KDM4EHSD17B10
SCHEMBL9768018 0.77 ADRB2 (0.48) MAPTADRB2TDP1KDM4EHSD17B10
SCHEMBL9768149 0.77 ADRB2 (0.62) MAPTADRB2TDP1KDM4EHSD17B10
SCHEMBL9768061 0.74 MAPT (0.57) MAPTADRB2TDP1KDM4EHSD17B10
Racepinephrine SCHEMBL28025377 0.72 KDM4E (0.93) MAPTADRB2TDP1KDM4EHSD17B10
SCHEMBL9768266 0.71 ADRB2 (0.53) MAPTADRB2TDP1KDM4EHSD17B10

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