SCHEMBL7056633

SCHEMBL7056633

C=CNC(=O)O.C=CNC(C)=O

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.36
CRBN Q96SW2 1/20 0.32
KDM4E B2RXH2 1/20 0.32
CA2 P00918 1/20 0.32
PTGS1 P23219 1/20 0.32
MMP12 P39900 1/20 0.32
LMNA P02545 1/20 0.32
NFKB1 P19838 1/20 0.30
ALOX15 P16050 1/20 0.30
HSD17B10 Q99714 1/20 0.30
FFAR3 O14843 1/20 0.30
LCK P06239 1/20 0.30
FYN P06241 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
SCHEMBL21206 0.89
Hydrochloric Acid SCHEMBL18740686 0.86
SCHEMBL11098706 0.86
Methyl Alcohol SCHEMBL8440529 0.86
SCHEMBL28899342 0.86
SCHEMBL233520 0.86
Acrylic Acid SCHEMBL6319653 0.84 LMNA (0.53) ALDH1A1CRBNKDM4ECA2PTGS1
Dimethylamine SCHEMBL2854253 0.83
Acrylic Acid SCHEMBL6666473 0.82 LMNA (0.50) ALDH1A1CRBNKDM4ECA2PTGS1
Acrylic Acid SCHEMBL7619573 0.82 LMNA (0.50) ALDH1A1CRBNKDM4ECA2PTGS1

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-0878126-B1 Plant-containing composition SHOWA DENKO KK (JP) 2003-05-21 EP claimed