SCHEMBL7870113

SCHEMBL7870113

COC(=O)C(OC(=O)C=Cc1ccc(O)c(O)c1)C(OC(=O)C=Cc1ccc(O)c(O)c1)C(=O)O

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 5/20 0.82
HSD17B10 Q99714 5/20 0.82
ALOX15 P16050 3/20 0.82
TP53 P04637 2/20 0.82
SRC P12931 2/20 0.70
APP P05067 8/20 0.63
TTR P02766 4/20 0.63
MMP1 P03956 3/20 0.62
MMP2 P08253 1/20 0.62
MMP3 P08254 1/20 0.62
MMP9 P14780 1/20 0.62
MMP12 P39900 1/20 0.62
MMP13 P45452 1/20 0.62
PTPN1 P18031 1/20 0.60
KDM4E B2RXH2 4/20 0.56
MAPT P10636 4/20 0.56
HPGD P15428 3/20 0.56
POLB P06746 2/20 0.56
GAA P10253 2/20 0.56
RECQL P46063 2/20 0.56

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
SCHEMBL14259643 0.93 HSD17B10 (0.71) TDP1HSD17B10ALOX15TP53SRC
Cichoric Acid SCHEMBL29385936 0.91 HSD17B10 (1.00) TDP1HSD17B10ALOX15TP53SRC
Chicoric Acid SCHEMBL21176639 0.91 HSD17B10 (1.00) TDP1HSD17B10ALOX15TP53SRC
Chicoric Acid SCHEMBL30518333 0.91 HSD17B10 (1.00) TDP1HSD17B10ALOX15TP53SRC
Cichoric Acid SCHEMBL29349701 0.91 HSD17B10 (1.00) TDP1HSD17B10ALOX15TP53SRC
Chicoric Acid SCHEMBL730803 0.91 HSD17B10 (1.00) TDP1HSD17B10ALOX15TP53SRC
Chicoric Acid SCHEMBL30995918 0.91 HSD17B10 (1.00) TDP1HSD17B10ALOX15TP53SRC
Chicoric Acid SCHEMBL963407 0.91 HSD17B10 (1.00) TDP1HSD17B10ALOX15TP53SRC
Chicoric Acid SCHEMBL961606 0.91 HSD17B10 (1.00) TDP1HSD17B10ALOX15TP53SRC
Chicoric Acid SCHEMBL13772650 0.91 HSD17B10 (1.00) TDP1HSD17B10ALOX15TP53SRC

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
US-6306443-B1 HARVESTING AN ECHINACEA PLANT; SEPARATING THE ECHINACEA PLANT INTO FRAGMENTS; PLACING THE FRAGMENTS IN A CONTAINER PROVIDING SEMI-AEROBIC CONDITIONS; STORING TO INCREASE CONCENTRATION OF CICHORIC ACID AND TETRAENE ALKYLAMIDES AMWAY CORPORATION 2001-10-23 US disclosed