SCHEMBL9367453

SCHEMBL9367453

COc1nc(OC)nc(OC(C(=O)OCc2ccccc2)C(C)(C)C)n1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 14/20 0.44
EDNRA P25101 14/20 0.44
ALDH1A1 P00352 3/20 0.43
NR1I2 O75469 1/20 0.39
KCNE1 P15382 1/20 0.39
KCNQ1 P51787 1/20 0.39
POLB P06746 1/20 0.39
MAPK1 P28482 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
SLC6A2 P23975 1/20 0.39
SLC6A3 Q01959 1/20 0.39
KMT2A Q03164 1/20 0.39
TDP1 Q9NUW8 1/20 0.39

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
SCHEMBL8943510 0.87 EDNRB (0.47) EDNRBEDNRAALDH1A1L3MBTL1KMT2A
SCHEMBL9756283 0.77 L3MBTL1 (0.44) ALDH1A1MAPK1L3MBTL1SLC6A2SLC6A3
SCHEMBL6712034 0.75 EDNRB (0.61) EDNRBEDNRA
SCHEMBL9367576 0.75 EDNRB (0.46) EDNRBEDNRANR1I2KCNE1KCNQ1
SCHEMBL6946124 0.75 ALDH1A1 (0.62) ALDH1A1MAPK1L3MBTL1SLC6A2SLC6A3
SCHEMBL3714106 0.73 EDNRB (0.72) EDNRBEDNRANR1I2KCNE1KCNQ1
SCHEMBL3714105 0.73 EDNRB (0.72) EDNRBEDNRANR1I2KCNE1KCNQ1
SCHEMBL8118735 0.73 EDNRB (0.56) EDNRBEDNRANR1I2KCNE1KCNQ1
SCHEMBL19185177 0.72 ALDH1A1 (0.58) ALDH1A1MAPK1L3MBTL1SLC6A2SLC6A3
SCHEMBL6946125 0.70 ALDH1A1 (0.56) ALDH1A1MAPK1L3MBTL1SLC6A2SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0347811-B1 Alkanoic acid derivatives and herbicidal compositions KUMIAI CHEMICAL INDUSTRY CO (JP) 1994-03-30 EP disclosed
US-5087289-A ALKANOIC ACID DERIVATIVES AND HERBICIDAL COMPOSITIONS KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 1992-02-11 US disclosed
US-4968340-A PREEMERGENCE KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 1990-11-06 US disclosed
EP-0347811-A1 Alkanoic acid derivatives and herbicidal compositions KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 1989-12-27 EP disclosed