SCHEMBL30075809

SCHEMBL30075809

CC(=O)Oc1ccc(/C=C/C(=O)O[C@@H](C(=O)O)[C@@H](OC(=O)/C=C/c2ccc(OC(C)=O)c(OC(C)=O)c2)C(=O)O)cc1OC(C)=O

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.60
ALOX15 P16050 1/20 0.60
HSD17B10 Q99714 1/20 0.60
TDP1 Q9NUW8 1/20 0.60
ALOX5 P09917 7/20 0.59
KDM4E B2RXH2 2/20 0.59
MAPT P10636 2/20 0.59
HTT P42858 2/20 0.59
SMN1; SMN2 Q16637 2/20 0.59
GLA P06280 1/20 0.59
RECQL P46063 1/20 0.59
JAK2 O60674 1/20 0.57
ALDH1A1 P00352 1/20 0.57
GAA P10253 1/20 0.57
JUN P05412 1/20 0.57
NFKB1 P19838 1/20 0.57
SRC P12931 1/20 0.52

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
SCHEMBL730348 0.83 KDM4E (0.66) TP53ALOX15HSD17B10TDP1KDM4E
SCHEMBL8028826 0.83 ALOX5 (0.58) HSD17B10TDP1ALOX5KDM4EMAPT
SCHEMBL7192753 0.83 JUN (0.66) ALOX5KDM4EMAPTHTTSMN1; SMN2
SCHEMBL8034404 0.82 ALOX5 (0.79) ALOX5KDM4EMAPTHTTSMN1; SMN2
SCHEMBL31256668 0.81 JUN (0.68) ALOX15HSD17B10ALOX5KDM4EMAPT
SCHEMBL2294213 0.81 JUN (0.68) ALOX15HSD17B10ALOX5KDM4EMAPT
SCHEMBL2294216 0.81 JUN (0.68) ALOX15HSD17B10ALOX5KDM4EMAPT
Hydrochloric Acid SCHEMBL8830740 0.80 JUN (0.66) ALOX15HSD17B10ALOX5KDM4EMAPT
SCHEMBL2219674 0.79 NFKB1 (0.85) ALOX15HSD17B10ALOX5KDM4EMAPT
SCHEMBL20144408 0.79 JUN (0.69) ALOX5KDM4EMAPTHTTSMN1; SMN2

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-115368240-A Crystal form A and crystal form B of tetraacetyl-L-chicoric acid and preparation method thereof 山东药品食品职业学院 2022-11-22 CN disclosed