SCHEMBL28276014

SCHEMBL28276014

CCON(C)c1ccc(C=O)c(OCc2ccccc2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.45
L3MBTL1 Q9Y468 3/20 0.43
ALDH1A1 P00352 2/20 0.43
ERN1 O75460 3/20 0.41
HDAC8 Q9BY41 1/20 0.41
CCNB2 O95067 1/20 0.41
CDK1 P06493 1/20 0.41
CDK4 P11802 1/20 0.41
CCNB1 P14635 1/20 0.41
CCND1 P24385 1/20 0.41
CCNB3 Q8WWL7 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.39
HTR1A P08908 1/20 0.39
ADRA1D P25100 1/20 0.39
ADRA1A P35348 1/20 0.39
ADRA1B P35368 1/20 0.39
STAT3 P40763 1/20 0.39
HTT P42858 1/20 0.39
KDM4E B2RXH2 1/20 0.39
LMNA P02545 1/20 0.39

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
SCHEMBL28277439 0.89 BACE1 (0.46) BACE1L3MBTL1ALDH1A1ERN1HDAC8
SCHEMBL3200550 0.83 ALDH1A1 (0.63) BACE1L3MBTL1ALDH1A1ERN1HDAC8
SCHEMBL28869474 0.80 BACE1 (0.42) BACE1ALDH1A1HDAC8CCNB2CDK1
SCHEMBL28869475 0.80 BACE1 (0.42) BACE1ALDH1A1HDAC8CCNB2CDK1
SCHEMBL27237675 0.79 BACE1 (0.48) BACE1L3MBTL1ALDH1A1ERN1HDAC8
SCHEMBL10791087 0.79 BACE1 (0.48) BACE1L3MBTL1ALDH1A1ERN1HDAC8
SCHEMBL20954376 0.79 BACE1 (0.44) BACE1L3MBTL1ALDH1A1ERN1HDAC8
SCHEMBL10009490 0.79 BACE1 (0.49) BACE1L3MBTL1ALDH1A1ERN1HDAC8
SCHEMBL17192798 0.78 BACE1 (0.50) BACE1L3MBTL1ALDH1A1ERN1HDAC8
SCHEMBL28277430 0.78 ALDH1A1 (0.43) L3MBTL1ALDH1A1HDAC8SMN1; SMN2HTT

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-109415468-A Electrooptics polymer 国立研究开发法人情报通信研究机构 2019-03-01 CN disclosed