SCHEMBL9768117

SCHEMBL9768117

Oc1ccc(C(O)CNc2cccc3ccccc23)cc1O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 8/20 0.53
MAPT P10636 8/20 0.53
TDP1 Q9NUW8 8/20 0.53
KDM4E B2RXH2 7/20 0.53
ADRB1 P08588 6/20 0.53
ADRB3 P13945 5/20 0.53
HSD17B10 Q99714 5/20 0.53
MEN1 O00255 4/20 0.53
KMT2A Q03164 4/20 0.53
MAPK1 P28482 4/20 0.53
TSHR P16473 4/20 0.53
MTOR P42345 3/20 0.53
CYP3A4 P08684 3/20 0.53
ADORA3 P0DMS8 3/20 0.53
DRD2 P14416 3/20 0.53
ADRA1D P25100 3/20 0.53
ADRA1A P35348 3/20 0.53
ADRA1B P35368 3/20 0.53
CYP1A2 P05177 3/20 0.53
HIF1A Q16665 3/20 0.53

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
SCHEMBL11693612 0.82 BACE1 (0.56) ADRB2MAPTKDM4EHSD17B10MAPK1
SCHEMBL9767972 0.81 ADRB2 (0.58) ADRB2MAPTTDP1KDM4EADRB1
SCHEMBL9768027 0.81 ADRB2 (0.54) ADRB2MAPTTDP1KDM4EADRB1
SCHEMBL9768168 0.81 ADRB2 (0.54) ADRB2MAPTTDP1KDM4EADRB1
SCHEMBL9768007 0.79 MAPT (0.51) ADRB2MAPTTDP1KDM4EADRB1
SCHEMBL9768149 0.78 ADRB2 (0.62) ADRB2MAPTTDP1KDM4EADRB1
SCHEMBL9768046 0.77 ADRB2 (0.60) ADRB2MAPTTDP1KDM4EADRB1
SCHEMBL9768343 0.77 INSR (0.57) ADRB2MAPTTDP1KDM4EADRB1
SCHEMBL9768018 0.76 ADRB2 (0.48) ADRB2MAPTTDP1KDM4EADRB1
SCHEMBL18769883 0.76 ADRB2 (0.74) 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