SCHEMBL5548013

SCHEMBL5548013

CCCCCOC(=O)/C=C/c1ccc(O)cc1

nearest known ligand 0.91

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
APP P05067 6/20 0.72
CA12 O43570 5/20 0.69
CA7 P43166 5/20 0.69
CA9 Q16790 5/20 0.69
CA14 Q9ULX7 5/20 0.69
CA1 P00915 4/20 0.69
CA2 P00918 2/20 0.69
AKR1B10 O60218 3/20 0.64
AKR1B1 P15121 3/20 0.64
CA4 P22748 3/20 0.64
CA6 P23280 3/20 0.64
CA5A P35218 3/20 0.64
CA5B Q9Y2D0 3/20 0.64
MET P08581 2/20 0.64
ESR1 P03372 2/20 0.63
MAOB P27338 1/20 0.59
ABCG2 Q9UNQ0 1/20 0.57
TYR P14679 1/20 0.57

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
SCHEMBL5548014 1.00 APP (0.72) APPCA12CA7CA9CA14
SCHEMBL30946730 0.98 APP (0.73) APPCA12CA7CA9CA14
SCHEMBL6397881 0.98 APP (0.73) APPCA12CA7CA9CA14
SCHEMBL19359006 0.98 APP (0.73) APPCA12CA7CA9CA14
SCHEMBL28126782 0.98 APP (0.73) APPCA12CA7CA9CA14
SCHEMBL10299697 0.98 APP (0.73) APPCA12CA7CA9CA14
SCHEMBL19359004 0.98 APP (0.73) APPCA12CA7CA9CA14
SCHEMBL21001200 0.98 APP (0.73) APPCA12CA7CA9CA14
SCHEMBL27864031 0.98 APP (0.73) APPCA12CA7CA9CA14
SCHEMBL28116687 0.98 APP (0.73) APPCA12CA7CA9CA14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108774274-A Sialic acid methyl esters first glycoside derivates and its synthetic method and application 北京大学 2018-11-09 CN disclosed
CN-108752212-A 9- decarboxylation Rosmarinic acid analogs and its synthetic method and application 北京大学 2018-11-06 CN disclosed
CN-108130344-A The reduction of lignifying in plant 加利福尼亚大学董事会 2018-06-08 CN disclosed
EP-1084269-B1 NOVEL PEROXIDASE SUBSTRATES AND THEIR USE IN CATALYZED REPORTER DEPOSITION PERKINELMER LAS INC (US) 2007-04-25 EP disclosed
EP-0240184-B1 ALPHA-METHYLCINNAMIC ACID ESTER DERIVATIVE AND LIQUID CRYSTAL COMPOSITION MITSUBISHI RAYON CO., LTD. (JP) 1991-08-21 EP disclosed
US-4751018-A DISCOLORATION INHIBITION MITSUBISHI RAYON COMPANY LTD. (JP) 1988-06-14 US disclosed
EP-0240184-A2 Alpha-Methylcinnamic acid ester derivative and liquid crystal composition MITSUBISHI RAYON CO., LTD. (JP) 1987-10-07 EP disclosed