SCHEMBL28869310

SCHEMBL28869310

[CH2]CCC(NC(C)=O)NC(C)=O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.37
MAPT P10636 1/20 0.37
THRB P10828 1/20 0.37
ALOX15 P16050 1/20 0.37
NFKB1 P19838 1/20 0.37
PTGS2 P35354 1/20 0.37
THPO P40225 1/20 0.37
RECQL P46063 1/20 0.37
BLM P54132 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ALDH1A1 P00352 1/20 0.35
TRPV1 Q8NER1 1/20 0.34
CHRM2 P08172 1/20 0.33
CHRM4 P08173 1/20 0.33
CHRM1 P11229 1/20 0.33
CRAT P43155 1/20 0.31
PLA2G2C Q5R387 1/20 0.31
CA2 P00918 1/20 0.30
PTGS1 P23219 1/20 0.30
MMP12 P39900 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
SCHEMBL28517444 0.79 KDM4E (0.39) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL200454 0.78
SCHEMBL6445240 0.78
SCHEMBL10617016 0.78
SCHEMBL8070218 0.77 HDAC7 (0.41) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL6691623 0.76 CRAT (0.37) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL8197848 0.76 ALDH1A1 (0.38) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL7041741 0.75 PLA2G2C (0.39) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL9628151 0.73 FOLH1 (0.45) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL9036282 0.71 ALDH1A1 (0.46) KDM4EMAPTTHRBALOX15NFKB1

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-105273122-B A kind of flame-retardant modified polyvinyl acetate emulsion and preparation method thereof 刘义林 2019-02-01 CN disclosed