SCHEMBL29624902

SCHEMBL29624902

CCOCCOCCOCCNCC(O)CO

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 3/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
ADRB2 P07550 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
ADRB1 P08588 1/20 0.35
ADRB3 P13945 1/20 0.35
USP2 O75604 1/20 0.34
HTR1A P08908 1/20 0.33
RECQL P46063 1/20 0.33
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
THRB P10828 1/20 0.32
TSHR P16473 1/20 0.31
POLB P06746 1/20 0.31
EPHX2 P34913 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
SCHEMBL10550726 0.96 KDM4E (0.41) KDM4EALDH1A1SMN1; SMN2ADRB2ADRB1
SCHEMBL20739180 0.85 ALDH1A1 (0.49) KDM4EALDH1A1SMN1; SMN2ADRB2KMT2A
SCHEMBL16948554 0.83 KDM4E (0.53) KDM4EALDH1A1SMN1; SMN2ADRB2MEN1
SCHEMBL8602173 0.81 ADRB2 (0.46) KDM4EADRB2MEN1KMT2AHTR1A
SCHEMBL27291304 0.80 MEN1 (0.39) KDM4EADRB2MEN1KMT2AADRB1
Glycerin SCHEMBL16008965 0.80 ALDH1A1 (0.50) KDM4EALDH1A1MEN1KMT2AUSP2
SCHEMBL24864628 0.79 ADRB2 (0.36) KDM4EADRB2MEN1KMT2AADRB1
SCHEMBL17936208 0.78 KDM4E (0.44) KDM4EALDH1A1SMN1; SMN2ADRB2KMT2A
SCHEMBL9110197 0.76 KDM4E (0.47) KDM4EALDH1A1SMN1; SMN2
SCHEMBL22047323 0.76 SCN1A (0.37) KDM4EALDH1A1SMN1; SMN2MEN1KMT2A

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-110214141-B Benzodiazolium compounds as ENaC inhibitors 企业治疗学有限公司 2022-05-31 CN disclosed