SCHEMBL23735488

SCHEMBL23735488

CC(=O)NNC(=O)NNC(C)=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.44
CA2 P00918 2/20 0.44
PTGS1 P23219 1/20 0.44
MMP12 P39900 1/20 0.44
NFKB1 P19838 1/20 0.41
TP53 P04637 1/20 0.37
TSHR P16473 3/20 0.36
CYP3A4 P08684 2/20 0.36
ALOX5 P09917 1/20 0.36
LMNA P02545 3/20 0.36
ALDH1A1 P00352 4/20 0.35
CRBN Q96SW2 1/20 0.35
THPO P40225 1/20 0.33
FFAR3 O14843 1/20 0.33
LCK P06239 1/20 0.33
FYN P06241 1/20 0.33
GAA P10253 1/20 0.32
MEN1 O00255 2/20 0.32
CA1 P00915 2/20 0.32
MAPT P10636 2/20 0.32

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
SCHEMBL16925902 0.90 KDM4E (0.44) KDM4ECA2PTGS1MMP12NFKB1
SCHEMBL606948 0.88
SCHEMBL10032154 0.83
SCHEMBL13608002 0.76 EPHX1 (0.44) KDM4ECA2PTGS1MMP12TP53
SCHEMBL2605837 0.76 ALDH1A1 (0.38) KDM4ECA2PTGS1MMP12TSHR
SCHEMBL16238142 0.74 KDM4E (0.41) KDM4ECA2PTGS1MMP12NFKB1
SCHEMBL4962666 0.74
SCHEMBL28454671 0.72
SCHEMBL3939931 0.72
SCHEMBL14265339 0.72 KDM4E (0.39) KDM4ECA2PTGS1MMP12NFKB1

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
EP-3157978-B1 STRICTLY SEGMENTED THERMOPLASTIC ELASTOMERS AS BIODEGRADABLE BIOMATERIALS SYMO CHEM B V (NL) 2021-08-11 EP disclosed