SCHEMBL29954446

SCHEMBL29954446

O=CCCN1CCOC1=O

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.46
PIK3CD O00329 2/20 0.38
NQO2 P16083 1/20 0.35
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33
SCN9A Q15858 1/20 0.33
PER2 O15055 1/20 0.33
CRY2 Q49AN0 1/20 0.33
GRM2 Q14416 1/20 0.33
ALDH1A1 P00352 3/20 0.32
PDK2 Q15119 1/20 0.32
LMNA P02545 2/20 0.31
POLB P06746 1/20 0.31
MAPT P10636 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
KMT2A Q03164 1/20 0.31
NAAA Q02083 1/20 0.31

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
SCHEMBL10337440 0.85 KDM4E (0.42) KDM4EPIK3CDNQO2CNR1CNR2
SCHEMBL2065172 0.82 KDM4E (0.45) KDM4EPIK3CDNQO2CNR1CNR2
SCHEMBL4439323 0.82 KDM4E (0.45) KDM4EPIK3CDNQO2CNR1CNR2
SCHEMBL10337812 0.81 KDM4E (0.39) KDM4EPIK3CDNQO2NAAA
SCHEMBL3020556 0.79
SCHEMBL4870336 0.78 PIK3CD (0.49) KDM4EPIK3CDPER2CRY2GRM2
SCHEMBL1712876 0.77
SCHEMBL15153625 0.77 KDM4E (0.41) KDM4EPIK3CDNQO2CNR1CNR2
SCHEMBL8903181 0.76 KDM4E (0.43) KDM4EPIK3CDNQO2CNR1CNR2
SCHEMBL18052333 0.76 KDM4E (0.43) KDM4EPIK3CDNQO2CNR1CNR2

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
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed