SCHEMBL28808178

SCHEMBL28808178

O[C@@H](CNCCc1cc[c]cc1)c1ccccc1

nearest known ligand 0.79

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 8/20 0.67
KDM4E B2RXH2 2/20 0.58
GAA P10253 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
TDP1 Q9NUW8 1/20 0.58
L3MBTL1 Q9Y468 1/20 0.58
ADRB3 P13945 9/20 0.55
ADRB1 P08588 2/20 0.50

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
SCHEMBL10720145 0.89 ADRB2 (0.77) ADRB2KDM4EGAASMN1; SMN2TDP1
SCHEMBL28292939 0.84 ADRB2 (0.58) ADRB2KDM4EGAASMN1; SMN2TDP1
SCHEMBL4467885 0.83 ADRB2 (0.73) ADRB2KDM4EGAASMN1; SMN2TDP1
SCHEMBL4467889 0.83 ADRB2 (0.73) ADRB2KDM4EGAASMN1; SMN2TDP1
SCHEMBL9543386 0.83 ADRB2 (0.73) ADRB2KDM4EGAASMN1; SMN2TDP1
SCHEMBL19245591 0.81 ADRB2 (0.71) ADRB2KDM4EGAASMN1; SMN2TDP1
SCHEMBL19245594 0.81 ADRB2 (0.71) ADRB2KDM4EGAASMN1; SMN2TDP1
SCHEMBL7118929 0.81 ADRB2 (0.71) ADRB2KDM4EGAASMN1; SMN2TDP1
SCHEMBL10895460 0.81 ADRB2 (0.71) ADRB2KDM4EGAASMN1; SMN2TDP1
SCHEMBL16596122 0.81 ADRB2 (0.71) ADRB2KDM4EGAASMN1; SMN2TDP1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114716350-A Preparation method of azoxy compound 广东东阳光药业有限公司 2022-07-08 CN disclosed
CN-114720605-A Preparation and detection method of azo compound 广东东阳光药业有限公司 2022-07-08 CN disclosed