SCHEMBL28845330

SCHEMBL28845330

[CH2]CC1CN(C(=O)OC(C)(C)C)CCC1=O

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DDB1 Q16531 2/20 0.43
CRBN Q96SW2 2/20 0.43
NR1H2 P55055 2/20 0.41
MAPT P10636 2/20 0.40
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
KMT2A Q03164 1/20 0.40
USP2 O75604 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ESR2 Q92731 1/20 0.39
KDM4E B2RXH2 2/20 0.39
THRB P10828 1/20 0.39
HPGD P15428 1/20 0.38
GPR119 Q8TDV5 2/20 0.37
JAK2 O60674 1/20 0.37
JAK1 P23458 1/20 0.37

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
SCHEMBL31339121 0.87 NR1H2 (0.49) DDB1CRBNNR1H2MAPTMEN1
SCHEMBL656014 0.87 DDB1 (0.44) DDB1CRBNNR1H2MAPTMEN1
SCHEMBL2253385 0.85 DDB1 (0.41) DDB1CRBNNR1H2MAPTMEN1
SCHEMBL2253382 0.85 DDB1 (0.41) DDB1CRBNNR1H2MAPTMEN1
SCHEMBL9967254 0.84 DDB1 (0.43) DDB1CRBNNR1H2MAPTMEN1
SCHEMBL16825886 0.84 DDB1 (0.43) DDB1CRBNNR1H2MAPTMEN1
SCHEMBL2250558 0.84 DDB1 (0.45) DDB1CRBNNR1H2MAPTMEN1
SCHEMBL2250561 0.84 DDB1 (0.45) DDB1CRBNNR1H2MAPTMEN1
SCHEMBL20163723 0.83 DDB1 (0.42) DDB1CRBNNR1H2MAPTMEN1
SCHEMBL21528222 0.83 JAK2 (0.42) DDB1CRBNNR1H2MAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106632318-B A kind of tetrahydropyridine miazines compound and its preparation method and application 广东环境保护工程职业学院 2018-07-31 CN claimed
CN-106632318-A Tetrahydropyridopyrimidine compound, preparation method therefor and application of tetrahydropyridopyrimidine compound 广东环境保护工程职业学院 2017-05-10 CN claimed
CN-106632318-B A kind of tetrahydropyridine miazines compound and its preparation method and application 广东环境保护工程职业学院 2018-07-31 CN disclosed
CN-106632318-A Tetrahydropyridopyrimidine compound, preparation method therefor and application of tetrahydropyridopyrimidine compound 广东环境保护工程职业学院 2017-05-10 CN disclosed