SCHEMBL28079221

SCHEMBL28079221

[CH2]C(O)COc1cccc(C)c1

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.59
ADRB1 P08588 1/20 0.59
KMT2A Q03164 5/20 0.52
MEN1 O00255 3/20 0.52
L3MBTL1 Q9Y468 1/20 0.51
MAPT P10636 2/20 0.49
HTT P42858 1/20 0.47
ACHE P22303 1/20 0.47
TSHR P16473 1/20 0.46
MAPK1 P28482 1/20 0.46
HIF1A Q16665 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
GAA P10253 1/20 0.45

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
SCHEMBL10922740 0.85 ADRB2 (0.71) ADRB2ADRB1KMT2AMEN1L3MBTL1
SCHEMBL30416351 0.84 ADRB2 (0.65) ADRB2ADRB1KMT2AMEN1L3MBTL1
SCHEMBL1496566 0.84 ADRB2 (0.65) ADRB2ADRB1KMT2AMEN1L3MBTL1
SCHEMBL2477290 0.82 MAPK1 (0.68) L3MBTL1MAPTTSHRMAPK1HIF1A
Hydrochloric Acid SCHEMBL9142587 0.82 ADRB2 (0.63) ADRB2ADRB1KMT2AMEN1L3MBTL1
SCHEMBL10457357 0.82 ADRB2 (0.63) ADRB2ADRB1KMT2AMEN1L3MBTL1
SCHEMBL1496789 0.81 TSHR (0.71) ADRB2ADRB1KMT2AMEN1L3MBTL1
SCHEMBL1496742 0.81 ADRB2 (0.66) ADRB2ADRB1KMT2AMEN1L3MBTL1
SCHEMBL14896741 0.81 TSHR (0.71) ADRB2ADRB1KMT2AMEN1L3MBTL1
SCHEMBL16002431 0.81 TSHR (0.71) ADRB2ADRB1KMT2AMEN1L3MBTL1

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
CN-105658238-A Therapeutic agents for use in the prophylaxis and/or treatment of hyperkinetic movement disorders 索姆创新生物技术公司 2016-06-08 CN disclosed