SCHEMBL28501401

SCHEMBL28501401

O=Cc1ccc(O)c2c1OCCO2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRIM24 O15164 2/20 0.43
TRIM33 Q9UPN9 2/20 0.43
DRD2 P14416 3/20 0.41
DRD3 P35462 3/20 0.41
DRD1 P21728 2/20 0.41
HTR2A P28223 2/20 0.41
DRD4 P21917 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
ERN1 O75460 6/20 0.41
PIK3CD O00329 1/20 0.40
PIK3CA P42336 1/20 0.40
PIK3CB P42338 1/20 0.40
PIK3CG P48736 1/20 0.40
PRKDC P78527 1/20 0.40
KDM4E B2RXH2 2/20 0.38
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
NPC1 O15118 1/20 0.36
HSP90AA1 P07900 1/20 0.36
IDO1 P14902 1/20 0.36

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
SCHEMBL30705299 1.00 TRIM24 (0.43) TRIM24TRIM33DRD2DRD3DRD1
SCHEMBL30705318 0.88 TRIM24 (0.43) TRIM24TRIM33ERN1PIK3CDPIK3CA
SCHEMBL22853919 0.88 TRIM24 (0.43) TRIM24TRIM33ERN1PIK3CDPIK3CA
SCHEMBL6851157 0.87 TDP1 (0.46) TRIM24TRIM33ERN1PIK3CDPIK3CA
SCHEMBL3077219 0.80 DRD2 (0.53) DRD2DRD3DRD1HTR2ADRD4
SCHEMBL14916013 0.78 TRIM24 (0.38) TRIM24TRIM33ERN1PIK3CDPIK3CA
SCHEMBL28505304 0.77 ERN1 (0.39) TRIM24TRIM33ERN1PIK3CDPIK3CA
SCHEMBL28632221 0.76 LMNA (0.36) TRIM24TRIM33ERN1PIK3CDPIK3CA
SCHEMBL3214016 0.76 ERN1 (0.42) TRIM24TRIM33ERN1PIK3CDPIK3CA
SCHEMBL21262188 0.74 ERN1 (0.44) TRIM24TRIM33ERN1PIK3CDPIK3CA

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-112041296-A Aminoacetamides containing benzo-oxy-alicyclic structure and use thereof 上海璃道医药科技有限公司 2020-12-04 CN disclosed