SCHEMBL28475236

SCHEMBL28475236

NCCOCCN1CCOCC1.OCCOCC(O)NN1CCOCC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.38
KEAP1 Q14145 1/20 0.38
POLB P06746 2/20 0.36
GAA P10253 2/20 0.36
KDM4E B2RXH2 3/20 0.35
ALDH1A1 P00352 2/20 0.35
TSHR P16473 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
EPHX2 P34913 1/20 0.31
HPGD P15428 1/20 0.31
DUSP3 P51452 1/20 0.31
PRMT5 O14744 1/20 0.31
WDR77 Q9BQA1 1/20 0.31
HTR1A P08908 1/20 0.30
LMNA P02545 1/20 0.30
ABCB11 O95342 1/20 0.30
CHRM2 P08172 1/20 0.30
ADRA2A P08913 1/20 0.30
DRD2 P14416 1/20 0.30
ADRA2B P18089 1/20 0.30

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
SCHEMBL28477691 0.84 POLB (0.41) POLBGAAKDM4EALDH1A1L3MBTL1
SCHEMBL2635588 0.76 SMN1; SMN2 (0.63) SMN1; SMN2KEAP1POLBKDM4EALDH1A1
SCHEMBL503668 0.76 KDM4E (0.57) SMN1; SMN2KEAP1POLBGAAKDM4E
SCHEMBL22840863 0.74 KDM4E (0.55) SMN1; SMN2KEAP1POLBGAAKDM4E
SCHEMBL525957 0.74 KDM4E (0.55) SMN1; SMN2KEAP1POLBGAAKDM4E
SCHEMBL18024033 0.70 KDM4E (0.53) SMN1; SMN2KEAP1POLBGAAKDM4E
SCHEMBL111438 0.67 TSHR (0.58) SMN1; SMN2KEAP1KDM4EALDH1A1TSHR
SCHEMBL11128458 0.67 HSD17B10 (0.44) SMN1; SMN2KEAP1POLBKDM4EALDH1A1
SCHEMBL28930625 0.67 SMN1; SMN2 (0.70) SMN1; SMN2KEAP1KDM4EALDH1A1TSHR
SCHEMBL4376068 0.67 ALDH1A1 (0.53) SMN1; SMN2KEAP1POLBGAAKDM4E

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-111741949-A Method for the continuous separation by distillation of a mixture comprising Morpholine (MO), monoaminodiglycol (ADG), ammonia, water and Methoxyethanol (MOE) 巴斯夫欧洲公司 2020-10-02 CN disclosed