SCHEMBL28778581

SCHEMBL28778581

COc1cc(CC(=O)O)cc(OC)c1.COc1ccc(OC)c(CC(=O)O)c1

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.82
PTGS1 P23219 1/20 0.55
AKR1C3 P42330 1/20 0.55
AKR1C2 P52895 1/20 0.55
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
GAA P10253 3/20 0.51
L3MBTL1 Q9Y468 1/20 0.50
KDM4E B2RXH2 2/20 0.48
ABL1 P00519 1/20 0.48
POLB P06746 1/20 0.48
MAPT P10636 1/20 0.48
RECQL P46063 1/20 0.48
RIN1 Q13671 1/20 0.48
CTDSP1 Q9GZU7 1/20 0.48
NFKB1 P19838 2/20 0.48
ALDH1A1 P00352 1/20 0.48
TSHR P16473 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
NPSR1 Q6W5P4 1/20 0.47

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
SCHEMBL504029 0.91 HSD17B10 (1.00) HSD17B10PTGS1AKR1C3AKR1C2MEN1
SCHEMBL30512021 0.91 HSD17B10 (1.00) HSD17B10PTGS1AKR1C3AKR1C2MEN1
Hydrochloric Acid SCHEMBL2527402 0.89 HSD17B10 (0.97) HSD17B10PTGS1AKR1C3AKR1C2MEN1
SCHEMBL28778578 0.84 HSD17B10 (0.61) HSD17B10MEN1KMT2AGAAMAPT
SCHEMBL347352 0.82 PTGS1 (0.59) HSD17B10PTGS1AKR1C3AKR1C2MEN1
Hydrochloric Acid SCHEMBL2531690 0.81 PTGS1 (0.58) HSD17B10PTGS1AKR1C3AKR1C2MEN1
SCHEMBL17967503 0.79 HSD17B10 (0.77) HSD17B10PTGS1AKR1C3AKR1C2MEN1
SCHEMBL13062107 0.78 HSD17B10 (0.71) HSD17B10AKR1C3AKR1C2MEN1KMT2A
SCHEMBL1097902 0.78 HSD17B10 (0.75) HSD17B10PTGS1AKR1C3AKR1C2MEN1
SCHEMBL30831943 0.78 HSD17B10 (0.75) HSD17B10PTGS1AKR1C3AKR1C2MEN1

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-101486839-B Conductive polymer composition, solid electrolyte and solid electrolyte capacitor using the conductive polymer ZHENGZHOU TAIDA ELECTRONIC MATERIAL TECHNOLOGY CO LTD 2011-08-17 CN disclosed
CN-101486839-A Conductive polymer composition, solid electrolyte and solid electrolyte capacitor using the conductive polymer ZHENGZHOU TAIDA ELECTRONIC MAT (CN) 2009-07-22 CN disclosed