SCHEMBL28855873

SCHEMBL28855873

CCOC(=O)C1=C(C)NC(C)=C(C(=O)OC(C)=O)C1

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 11/20 0.80
MEN1 O00255 2/20 0.80
KMT2A Q03164 2/20 0.80
MAPT P10636 1/20 0.80
ALOX15 P16050 1/20 0.80
LMNA P02545 6/20 0.46
GAA P10253 3/20 0.44
POLB P06746 1/20 0.44
ALDH1A1 P00352 9/20 0.42
HSD17B10 Q99714 3/20 0.42
TSHR P16473 2/20 0.42
HPGD P15428 2/20 0.42
TP53 P04637 1/20 0.42
MTOR P42345 1/20 0.40
RAB9A P51151 1/20 0.40
HTT P42858 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ABCC1 P33527 1/20 0.37
AGTR1 P30556 1/20 0.36
CYP1A2 P05177 1/20 0.36

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
SCHEMBL95164 0.89 KDM4E (1.00) KDM4EMEN1KMT2AMAPTALOX15
SCHEMBL17367952 0.86 KDM4E (0.86) KDM4EMEN1KMT2AMAPTALOX15
Acetic Acid SCHEMBL28855875 0.85 KDM4E (0.83) KDM4EMEN1KMT2AMAPTALOX15
SCHEMBL21891255 0.85 KDM4E (0.83) KDM4EMEN1KMT2AMAPTALOX15
SCHEMBL14963234 0.83 KDM4E (0.80) KDM4EMEN1KMT2AMAPTALOX15
SCHEMBL30987784 0.83 KDM4E (0.86) KDM4EMEN1KMT2AMAPTALOX15
SCHEMBL8037231 0.83 KDM4E (0.86) KDM4EMEN1KMT2AMAPTALOX15
SCHEMBL14957474 0.80 KDM4E (0.80) KDM4EMEN1KMT2AMAPTALOX15
SCHEMBL434624 0.80 KDM4E (0.80) KDM4EMEN1KMT2AMAPTALOX15
SCHEMBL9880008 0.78 KDM4E (0.77) KDM4EMEN1KMT2AMAPTALOX15

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112574054-B Efficient nitriding reagent and application thereof 北京大学 2022-10-14 CN disclosed
CN-112574054-A Efficient nitriding reagent and application thereof 北京大学 2021-03-30 CN disclosed